Friday, June 28, 2013

All Chemical Compounds Information




Product OPENEYE NAME: benzhydryl 4-methyl-3-[(E)-1-morpholinoethoxyiminomethyl]-8-oxo-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
CAS Name: 4-methyl-3-[(E)-1-(4-morpholinyl)ethoxyiminomethyl]-8-oxo-7-[(1-oxo-2-thiophen-2-ylethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (diphenylmethyl) ester
IUPAC NAME: benzhydryl 4-methyl-3-[(E)-1-morpholin-4-ylethoxyiminomethyl]-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
SYSTEMATIC NAME: (diphenylmethyl) 4-methyl-3-[(E)-1-morpholin-4-ylethoxyiminomethyl]-8-oxidanylidene-7-(2-thiophen-2-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
MOLECULAR FORMULA: C34H36N4O6S2
MOLECULAR WEIGHT: 660.80284
SMILES: CC1C(=C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CS3)C(=O)OC(C4=CC=CC=C4)C5=CC=CC=C5)/C=N/OC(C)N6CCOCC6
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Product OPENEYE NAME: benzhydryl 4-methyl-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-5,8-dioxo-7-[(2-phenylacetyl)amino]-5$l^{4}-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
CAS Name: 4-methyl-3-[[(1-methyl-5-tetrazolyl)thio]methyl]-5,8-dioxo-7-[(1-oxo-2-phenylethyl)amino]-5$l^{4}-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (diphenylmethyl) ester
IUPAC NAME: benzhydryl 4-methyl-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-5,8-dioxo-7-[(2-phenylacetyl)amino]-5$l^{4}-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
SYSTEMATIC NAME: (diphenylmethyl) 4-methyl-3-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-5,8-bis(oxidanylidene)-7-(2-phenylethanoylamino)-5$l^{4}-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
MOLECULAR FORMULA: C32H30N6O5S2
MOLECULAR WEIGHT: 642.7478
SMILES: CC1C(=C(N2C(S1=O)C(C2=O)NC(=O)CC3=CC=CC=C3)C(=O)OC(C4=CC=CC=C4)C5=CC=CC=C5)CSC6=NN=NN6C
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Product OPENEYE NAME: 4-methyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-8-oxo-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CAS Name: 4-methyl-3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-8-oxo-7-[(1-oxo-2-thiophen-2-ylethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
IUPAC NAME: 4-methyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
SYSTEMATIC NAME: 4-methyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-8-oxidanylidene-7-(2-thiophen-2-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
MOLECULAR FORMULA: C18H18N4O4S4
MOLECULAR WEIGHT: 482.61992
SMILES: CC1C(=C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CS3)C(=O)O)CSC4=NN=C(S4)C
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Product OPENEYE NAME: benzhydryl 3,4-dimethylene-8-oxo-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate
CAS Name: 3,4-dimethylene-8-oxo-7-[(1-oxo-2-thiophen-2-ylethyl)amino]-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid (diphenylmethyl) ester
IUPAC NAME: benzhydryl 3,4-dimethylidene-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate
SYSTEMATIC NAME: (diphenylmethyl) 3,4-dimethylidene-8-oxidanylidene-7-(2-thiophen-2-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate
MOLECULAR FORMULA: C28H24N2O4S2
MOLECULAR WEIGHT: 516.63116
SMILES: C=C1C(N2C(C(C2=O)NC(=O)CC3=CC=CS3)SC1=C)C(=O)OC(C4=CC=CC=C4)C5=CC=CC=C5
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Product OPENEYE NAME: benzhydryl 4-methyl-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
CAS Name: 4-methyl-3-[[(1-methyl-5-tetrazolyl)thio]methyl]-8-oxo-7-[(1-oxo-2-phenylethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (diphenylmethyl) ester
IUPAC NAME: benzhydryl 4-methyl-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
SYSTEMATIC NAME: (diphenylmethyl) 4-methyl-3-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-8-oxidanylidene-7-(2-phenylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
MOLECULAR FORMULA: C32H30N6O4S2
MOLECULAR WEIGHT: 626.7484
SMILES: CC1C(=C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CC=C3)C(=O)OC(C4=CC=CC=C4)C5=CC=CC=C5)CSC6=NN=NN6C
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Product OPENEYE NAME: 3-(acetoxymethyl)-7-[(2-cyclohexa-1,4-dien-1-ylacetyl)amino]-4-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CAS Name: 3-(acetyloxymethyl)-7-[[2-(1-cyclohexa-1,4-dienyl)-1-oxoethyl]amino]-4-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
IUPAC NAME: 3-(acetyloxymethyl)-7-[(2-cyclohexa-1,4-dien-1-ylacetyl)amino]-4-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
SYSTEMATIC NAME: 3-(acetyloxymethyl)-7-(2-cyclohexa-1,4-dien-1-ylethanoylamino)-4-methyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
MOLECULAR FORMULA: C19H22N2O6S
MOLECULAR WEIGHT: 406.45278
SMILES: CC1C(=C(N2C(S1)C(C2=O)NC(=O)CC3=CCC=CC3)C(=O)O)COC(=O)C
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Product OPENEYE NAME: 2-[(6E)-6-methoxyiminocyclohexa-2,4-dien-1-yl]acetic acid
CAS Name: 2-[(6E)-6-methoxyimino-1-cyclohexa-2,4-dienyl]acetic acid
IUPAC NAME: 2-[(6E)-6-methoxyiminocyclohexa-2,4-dien-1-yl]acetic acid
SYSTEMATIC NAME: 2-[(6E)-6-methoxyiminocyclohexa-2,4-dien-1-yl]ethanoic acid
MOLECULAR FORMULA: C9H11NO3
MOLECULAR WEIGHT: 181.18854
SMILES: CO/N=C/1\C=CC=CC1CC(=O)O
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Product OPENEYE NAME: 3,4-dimethyl-5-thia-1-azabicyclo[4.2.0]oct-2-en-8-one
CAS Name: 3,4-dimethyl-5-thia-1-azabicyclo[4.2.0]oct-2-en-8-one
IUPAC NAME: 3,4-dimethyl-5-thia-1-azabicyclo[4.2.0]oct-2-en-8-one
SYSTEMATIC NAME: 3,4-dimethyl-5-thia-1-azabicyclo[4.2.0]oct-2-en-8-one
MOLECULAR FORMULA: C8H11NOS
MOLECULAR WEIGHT: 169.24404
SMILES: CC1C(=CN2C(S1)CC2=O)C
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Product OPENEYE NAME: 4-methyl-3-[(E)-1-morpholinoethoxyiminomethyl]-8-oxo-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CAS Name: 4-methyl-3-[(E)-1-(4-morpholinyl)ethoxyiminomethyl]-8-oxo-7-[(1-oxo-2-thiophen-2-ylethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
IUPAC NAME: 4-methyl-3-[(E)-1-morpholin-4-ylethoxyiminomethyl]-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
SYSTEMATIC NAME: 4-methyl-3-[(E)-1-morpholin-4-ylethoxyiminomethyl]-8-oxidanylidene-7-(2-thiophen-2-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
MOLECULAR FORMULA: C21H26N4O6S2
MOLECULAR WEIGHT: 494.58434
SMILES: CC1C(=C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CS3)C(=O)O)/C=N/OC(C)N4CCOCC4
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Product OPENEYE NAME: benzhydryl 3-(acetoxymethyl)-4-methylene-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
CAS Name: 3-(acetyloxymethyl)-4-methylene-8-oxo-7-[(1-oxo-2-phenylethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (diphenylmethyl) ester
IUPAC NAME: benzhydryl 3-(acetyloxymethyl)-4-methylidene-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
SYSTEMATIC NAME: (diphenylmethyl) 3-(acetyloxymethyl)-4-methylidene-8-oxidanylidene-7-(2-phenylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
MOLECULAR FORMULA: C32H28N2O6S
MOLECULAR WEIGHT: 568.63952
SMILES: CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)CC3=CC=CC=C3)SC1=C)C(=O)OC(C4=CC=CC=C4)C5=CC=CC=C5
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Product OPENEYE NAME: 7-[[(2E)-2-(2-aminothiazol-4-yl)-2-methoxyimino-acetyl]amino]-3-[(2E)-2-methoxyiminoethyl]-4-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CAS Name: 7-[[(2E)-2-(2-amino-4-thiazolyl)-2-methoxyimino-1-oxoethyl]amino]-3-[(2E)-2-methoxyiminoethyl]-4-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
IUPAC NAME: 7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(2E)-2-methoxyiminoethyl]-4-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
SYSTEMATIC NAME: 7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-3-[(2E)-2-methoxyiminoethyl]-4-methyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
MOLECULAR FORMULA: C17H20N6O6S2
MOLECULAR WEIGHT: 468.5073
SMILES: CC1C(=C(N2C(S1)C(C2=O)NC(=O)/C(=N/OC)/C3=CSC(=N3)N)C(=O)O)C/C=N/OC
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Product OPENEYE NAME: 7-[[(2E)-2-(2-aminothiazol-4-yl)-2-methoxyimino-acetyl]amino]-3-[(E)-methoxyiminomethyl]-4-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CAS Name: 7-[[(2E)-2-(2-amino-4-thiazolyl)-2-methoxyimino-1-oxoethyl]amino]-3-[(E)-methoxyiminomethyl]-4-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
IUPAC NAME: 7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(E)-methoxyiminomethyl]-4-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
SYSTEMATIC NAME: 7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-3-[(E)-methoxyiminomethyl]-4-methyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
MOLECULAR FORMULA: C16H18N6O6S2
MOLECULAR WEIGHT: 454.48072
SMILES: CC1C(=C(N2C(S1)C(C2=O)NC(=O)/C(=N/OC)/C3=CSC(=N3)N)C(=O)O)/C=N/OC
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Product OPENEYE NAME: O-(1-morpholinoethyl)hydroxylamine hydrochloride
CAS Name: O-[1-(4-morpholinyl)ethyl]hydroxylamine hydrochloride
IUPAC NAME: O-(1-morpholin-4-ylethyl)hydroxylamine hydrochloride
SYSTEMATIC NAME: O-(1-morpholin-4-ylethyl)hydroxylamine hydrochloride
MOLECULAR FORMULA: C6H15ClN2O2
MOLECULAR WEIGHT: 182.6485
SMILES: CC(N1CCOCC1)ON.Cl
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Product OPENEYE NAME: 4-methyl-5,8-dioxo-5$l^{4}-thia-1-azabicyclo[4.2.0]oct-2-ene-3-carbaldehyde
CAS Name: 4-methyl-5,8-dioxo-5$l^{4}-thia-1-azabicyclo[4.2.0]oct-2-ene-3-carboxaldehyde
IUPAC NAME: 4-methyl-5,8-dioxo-5$l^{4}-thia-1-azabicyclo[4.2.0]oct-2-ene-3-carbaldehyde
SYSTEMATIC NAME: 4-methyl-5,8-bis(oxidanylidene)-5$l^{4}-thia-1-azabicyclo[4.2.0]oct-2-ene-3-carbaldehyde
MOLECULAR FORMULA: C8H9NO3S
MOLECULAR WEIGHT: 199.22696
SMILES: CC1C(=CN2C(S1=O)CC2=O)C=O
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Product OPENEYE NAME: 5-methoxycarbonylcyclohexa-1,5-diene-1-carboxylic acid
CAS Name: 5-methoxycarbonyl-1-cyclohexa-1,5-dienecarboxylic acid
IUPAC NAME: 5-methoxycarbonylcyclohexa-1,5-diene-1-carboxylic acid
SYSTEMATIC NAME: 5-methoxycarbonylcyclohexa-1,5-diene-1-carboxylic acid
MOLECULAR FORMULA: C9H10O4
MOLECULAR WEIGHT: 182.1733
SMILES: COC(=O)C1=CC(=CCC1)C(=O)O
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Product OPENEYE NAME: 7-[[5-(aminomethyl)-4,5-dihydro-1H-imidazol-2-yl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CAS Name: 7-[[5-(aminomethyl)-4,5-dihydro-1H-imidazol-2-yl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
IUPAC NAME: 7-[[5-(aminomethyl)-4,5-dihydro-1H-imidazol-2-yl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
SYSTEMATIC NAME: 7-[[5-(aminomethyl)-4,5-dihydro-1H-imidazol-2-yl]amino]-3-methyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
MOLECULAR FORMULA: C12H17N5O3S
MOLECULAR WEIGHT: 311.36008
SMILES: CC1=C(N2C(C(C2=O)NC3=NCC(N3)CN)SC1)C(=O)O
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Product OPENEYE NAME: 1-amino-3-hydroxy-propan-2-one oxime
CAS Name: 1-amino-3-hydroxy-2-propanone oxime
IUPAC NAME: (2E)-3-amino-2-hydroxyiminopropan-1-ol
SYSTEMATIC NAME: (2E)-3-azanyl-2-hydroxyimino-propan-1-ol
MOLECULAR FORMULA: C3H8N2O2
MOLECULAR WEIGHT: 104.10782
SMILES: C(/C(=N\O)/CO)N
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Product OPENEYE NAME: acetoxymethyl 7-(1H-imidazol-2-ylamino)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate hydrochloride
CAS Name: 7-(1H-imidazol-2-ylamino)-3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid acetyloxymethyl ester hydrochloride
IUPAC NAME: acetyloxymethyl 7-(1H-imidazol-2-ylamino)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate hydrochloride
SYSTEMATIC NAME: acetyloxymethyl 7-(1H-imidazol-2-ylamino)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate hydrochloride
MOLECULAR FORMULA: C17H19ClN6O5S3
MOLECULAR WEIGHT: 519.01796
SMILES: CC1=NN=C(S1)SCC2=C(N3C(C(C3=O)NC4=NC=CN4)SC2)C(=O)OCOC(=O)C.Cl
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Product OPENEYE NAME: acetoxymethyl 7-(1H-imidazol-2-ylamino)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
CAS Name: 7-(1H-imidazol-2-ylamino)-3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid acetyloxymethyl ester
IUPAC NAME: acetyloxymethyl 7-(1H-imidazol-2-ylamino)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
SYSTEMATIC NAME: acetyloxymethyl 7-(1H-imidazol-2-ylamino)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
MOLECULAR FORMULA: C17H18N6O5S3
MOLECULAR WEIGHT: 482.55702
SMILES: CC1=NN=C(S1)SCC2=C(N3C(C(C3=O)NC4=NC=CN4)SC2)C(=O)OCOC(=O)C
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Product OPENEYE NAME: benzhydryl 7-[(4-acetamido-1H-benzimidazol-2-yl)amino]-3-(acetoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
CAS Name: 7-[(4-acetamido-1H-benzimidazol-2-yl)amino]-3-(acetyloxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (diphenylmethyl) ester
IUPAC NAME: benzhydryl 7-[(4-acetamido-1H-benzimidazol-2-yl)amino]-3-(acetyloxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
SYSTEMATIC NAME: (diphenylmethyl) 7-[(4-acetamido-1H-benzimidazol-2-yl)amino]-3-(acetyloxymethyl)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
MOLECULAR FORMULA: C32H29N5O6S
MOLECULAR WEIGHT: 611.66756
SMILES: CC(=O)NC1=CC=CC2=C1N=C(N2)NC3C4N(C3=O)C(=C(CS4)COC(=O)C)C(=O)OC(C5=CC=CC=C5)C6=CC=CC=C6
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Product OPENEYE NAME: tert-butyl 7-[(1-methoxybenzimidazol-2-yl)amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
CAS Name: 7-[(1-methoxy-2-benzimidazolyl)amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid tert-butyl ester
IUPAC NAME: tert-butyl 7-[(1-methoxybenzimidazol-2-yl)amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
SYSTEMATIC NAME: tert-butyl 7-[(1-methoxybenzimidazol-2-yl)amino]-3-methyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
MOLECULAR FORMULA: C20H24N4O4S
MOLECULAR WEIGHT: 416.49396
SMILES: CC1=C(N2C(C(C2=O)NC3=NC4=CC=CC=C4N3OC)SC1)C(=O)OC(C)(C)C
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Product OPENEYE NAME: 7-(1H-imidazol-2-ylamino)-3-[(1-isopropyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CAS Name: 7-(1H-imidazol-2-ylamino)-8-oxo-3-[[(1-propan-2-yl-5-tetrazolyl)thio]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
IUPAC NAME: 7-(1H-imidazol-2-ylamino)-8-oxo-3-[(1-propan-2-yltetrazol-5-yl)sulfanylmethyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
SYSTEMATIC NAME: 7-(1H-imidazol-2-ylamino)-8-oxidanylidene-3-[(1-propan-2-yl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
MOLECULAR FORMULA: C15H18N8O3S2
MOLECULAR WEIGHT: 422.48522
SMILES: CC(C)N1C(=NN=N1)SCC2=C(N3C(C(C3=O)NC4=NC=CN4)SC2)C(=O)O
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Product OPENEYE NAME: 7-(2,4-diazabicyclo[3.1.0]hex-3-en-3-ylamino)-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CAS Name: 7-(2,4-diazabicyclo[3.1.0]hex-3-en-3-ylamino)-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
IUPAC NAME: 7-(2,4-diazabicyclo[3.1.0]hex-3-en-3-ylamino)-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
SYSTEMATIC NAME: 7-(2,4-diazabicyclo[3.1.0]hex-3-en-3-ylamino)-3-methyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
MOLECULAR FORMULA: C12H14N4O3S
MOLECULAR WEIGHT: 294.32956
SMILES: CC1=C(N2C(C(C2=O)NC3=NC4CC4N3)SC1)C(=O)O
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