Friday, June 28, 2013

All Chemical Compounds Information




Product OPENEYE NAME: 2,2-dimethylpropanoyloxymethyl 7-(4,5-dihydro-1H-imidazol-2-ylamino)-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate hydrochloride
CAS Name: 7-(4,5-dihydro-1H-imidazol-2-ylamino)-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (2,2-dimethyl-1-oxopropoxy)methyl ester hydrochloride
IUPAC NAME: 2,2-dimethylpropanoyloxymethyl 7-(4,5-dihydro-1H-imidazol-2-ylamino)-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate hydrochloride
SYSTEMATIC NAME: 2,2-dimethylpropanoyloxymethyl 7-(4,5-dihydro-1H-imidazol-2-ylamino)-3-methyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate hydrochloride
MOLECULAR FORMULA: C17H25ClN4O5S
MOLECULAR WEIGHT: 432.9222
SMILES: CC1=C(N2C(C(C2=O)NC3=NCCN3)SC1)C(=O)OCOC(=O)C(C)(C)C.Cl
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Product OPENEYE NAME: 2,2-dimethylpropanoyloxymethyl 7-(4,5-dihydro-1H-imidazol-2-ylamino)-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
CAS Name: 7-(4,5-dihydro-1H-imidazol-2-ylamino)-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (2,2-dimethyl-1-oxopropoxy)methyl ester
IUPAC NAME: 2,2-dimethylpropanoyloxymethyl 7-(4,5-dihydro-1H-imidazol-2-ylamino)-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
SYSTEMATIC NAME: 2,2-dimethylpropanoyloxymethyl 7-(4,5-dihydro-1H-imidazol-2-ylamino)-3-methyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
MOLECULAR FORMULA: C17H24N4O5S
MOLECULAR WEIGHT: 396.46126
SMILES: CC1=C(N2C(C(C2=O)NC3=NCCN3)SC1)C(=O)OCOC(=O)C(C)(C)C
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Product OPENEYE NAME: benzhydryl 2,3-diaminopropanoate
CAS Name: 2,3-diaminopropanoic acid (diphenylmethyl) ester
IUPAC NAME: benzhydryl 2,3-diaminopropanoate
SYSTEMATIC NAME: (diphenylmethyl) 2,3-bis(azanyl)propanoate
MOLECULAR FORMULA: C16H18N2O2
MOLECULAR WEIGHT: 270.32632
SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)OC(=O)C(CN)N
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Product OPENEYE NAME: 7-(2,4-diazabicyclo[3.1.0]hex-3-en-3-ylamino)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-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-[[(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
IUPAC NAME: 7-(2,4-diazabicyclo[3.1.0]hex-3-en-3-ylamino)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-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-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
MOLECULAR FORMULA: C15H16N6O3S3
MOLECULAR WEIGHT: 424.52094
SMILES: CC1=NN=C(S1)SCC2=C(N3C(C(C3=O)NC4=NC5CC5N4)SC2)C(=O)O
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Product OPENEYE NAME: 7-(1H-imidazol-2-ylamino)-8-oxo-3-[[1-(sulfomethyl)tetrazol-5-yl]sulfanylmethyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CAS Name: 7-(1H-imidazol-2-ylamino)-8-oxo-3-[[[1-(sulfomethyl)-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-(sulfomethyl)tetrazol-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-(sulfomethyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
MOLECULAR FORMULA: C13H14N8O6S3
MOLECULAR WEIGHT: 474.49526
SMILES: C1C(=C(N2C(S1)C(C2=O)NC3=NC=CN3)C(=O)O)CSC4=NN=NN4CS(=O)(=O)O
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Product OPENEYE NAME: 7-(4,5-dihydro-1H-imidazol-2-ylamino)-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CAS Name: 7-(4,5-dihydro-1H-imidazol-2-ylamino)-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
IUPAC NAME: 7-(4,5-dihydro-1H-imidazol-2-ylamino)-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
SYSTEMATIC NAME: 7-(4,5-dihydro-1H-imidazol-2-ylamino)-3-methyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
MOLECULAR FORMULA: C11H14N4O3S
MOLECULAR WEIGHT: 282.31886
SMILES: CC1=C(N2C(C(C2=O)NC3=NCCN3)SC1)C(=O)O
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Product OPENEYE NAME: benzhydryl 7-(4-acetamido-1H-benzimidazol-2-yl)-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
CAS Name: 7-(4-acetamido-1H-benzimidazol-2-yl)-3-methyl-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)-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
SYSTEMATIC NAME: (diphenylmethyl) 7-(4-acetamido-1H-benzimidazol-2-yl)-3-methyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
MOLECULAR FORMULA: C30H26N4O4S
MOLECULAR WEIGHT: 538.61684
SMILES: CC1=C(N2C(C(C2=O)C3=NC4=C(N3)C=CC=C4NC(=O)C)SC1)C(=O)OC(C5=CC=CC=C5)C6=CC=CC=C6
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Product OPENEYE NAME: 1-chloro-4,5-dihydroimidazole hydrochloride
CAS Name: 1-chloro-4,5-dihydroimidazole hydrochloride
IUPAC NAME: 1-chloro-4,5-dihydroimidazole hydrochloride
SYSTEMATIC NAME: 1-chloranyl-4,5-dihydroimidazole hydrochloride
MOLECULAR FORMULA: C3H6Cl2N2
MOLECULAR WEIGHT: 140.99914
SMILES: C1CN(C=N1)Cl.Cl
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Product OPENEYE NAME: 1-chloro-4,5-dihydroimidazole
CAS Name: 1-chloro-4,5-dihydroimidazole
IUPAC NAME: 1-chloro-4,5-dihydroimidazole
SYSTEMATIC NAME: 1-chloranyl-4,5-dihydroimidazole
MOLECULAR FORMULA: C3H5ClN2
MOLECULAR WEIGHT: 104.5382
SMILES: C1CN(C=N1)Cl
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Product OPENEYE NAME: 2H-triazole-4-carbothialdehyde
CAS Name: 2H-triazole-4-carbothioaldehyde
IUPAC NAME: 2H-triazole-4-carbothialdehyde
SYSTEMATIC NAME: 2H-1,2,3-triazole-4-carbothialdehyde
MOLECULAR FORMULA: C3H3N3S
MOLECULAR WEIGHT: 113.14102
SMILES: C1=NNN=C1C=S
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Product OPENEYE NAME: 3-methyl-7-[(1-methylbenzimidazol-2-yl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CAS Name: 3-methyl-7-[(1-methyl-2-benzimidazolyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
IUPAC NAME: 3-methyl-7-[(1-methylbenzimidazol-2-yl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
SYSTEMATIC NAME: 3-methyl-7-[(1-methylbenzimidazol-2-yl)amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
MOLECULAR FORMULA: C16H16N4O3S
MOLECULAR WEIGHT: 344.38824
SMILES: CC1=C(N2C(C(C2=O)NC3=NC4=CC=CC=C4N3C)SC1)C(=O)O
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Product OPENEYE NAME: acetoxymethyl 7-amino-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-amino-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-amino-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-azanyl-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: C14H17ClN4O5S3
MOLECULAR WEIGHT: 452.95658
SMILES: CC1=NN=C(S1)SCC2=C(N3C(C(C3=O)N)SC2)C(=O)OCOC(=O)C.Cl
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Product OPENEYE NAME: acetoxymethyl 7-amino-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-amino-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-amino-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-azanyl-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: C14H16N4O5S3
MOLECULAR WEIGHT: 416.49564
SMILES: CC1=NN=C(S1)SCC2=C(N3C(C(C3=O)N)SC2)C(=O)OCOC(=O)C
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Product OPENEYE NAME: 3-methyl-7-[(1-methylbenzimidazol-2-yl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
CAS Name: 3-methyl-7-[(1-methyl-2-benzimidazolyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
IUPAC NAME: 3-methyl-7-[(1-methylbenzimidazol-2-yl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
SYSTEMATIC NAME: 3-methyl-7-[(1-methylbenzimidazol-2-yl)amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
MOLECULAR FORMULA: C16H15N4O3S-
MOLECULAR WEIGHT: 343.3803
SMILES: CC1=C(N2C(C(C2=O)NC3=NC4=CC=CC=C4N3C)SC1)C(=O)[O-]
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Product OPENEYE NAME: benzhydryl 3-(acetoxymethyl)-7-isocyano-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
CAS Name: 3-(acetyloxymethyl)-7-isocyano-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (diphenylmethyl) ester
IUPAC NAME: benzhydryl 3-(acetyloxymethyl)-7-isocyano-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
SYSTEMATIC NAME: (diphenylmethyl) 3-(acetyloxymethyl)-7-isocyano-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
MOLECULAR FORMULA: C24H20N2O5S
MOLECULAR WEIGHT: 448.491
SMILES: CC(=O)OCC1=C(N2C(C(C2=O)[N+]#[C-])SC1)C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4
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Product OPENEYE NAME: 3-(acetoxymethyl)-7-[[6-(aminomethyl)-1H-benzimidazol-2-yl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CAS Name: 3-(acetyloxymethyl)-7-[[6-(aminomethyl)-1H-benzimidazol-2-yl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
IUPAC NAME: 3-(acetyloxymethyl)-7-[[6-(aminomethyl)-1H-benzimidazol-2-yl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
SYSTEMATIC NAME: 3-(acetyloxymethyl)-7-[[6-(aminomethyl)-1H-benzimidazol-2-yl]amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
MOLECULAR FORMULA: C18H19N5O5S
MOLECULAR WEIGHT: 417.43896
SMILES: CC(=O)OCC1=C(N2C(C(C2=O)NC3=NC4=C(N3)C=C(C=C4)CN)SC1)C(=O)O
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Product OPENEYE NAME: 7-[(6-hydroxy-1H-benzimidazol-2-yl)amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CAS Name: 7-[(6-hydroxy-1H-benzimidazol-2-yl)amino]-3-[[(1-methyl-5-tetrazolyl)thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
IUPAC NAME: 7-[(6-hydroxy-1H-benzimidazol-2-yl)amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
SYSTEMATIC NAME: 3-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-7-[(6-oxidanyl-1H-benzimidazol-2-yl)amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
MOLECULAR FORMULA: C17H16N8O4S2
MOLECULAR WEIGHT: 460.49014
SMILES: CN1C(=NN=N1)SCC2=C(N3C(C(C3=O)NC4=NC5=C(N4)C=C(C=C5)O)SC2)C(=O)O
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Product OPENEYE NAME: 7-(1H-imidazol-2-ylamino)-3-[[1-(2-methylsulfanylethyl)tetrazol-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)-3-[[[1-[2-(methylthio)ethyl]-5-tetrazolyl]thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
IUPAC NAME: 7-(1H-imidazol-2-ylamino)-3-[[1-(2-methylsulfanylethyl)tetrazol-5-yl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
SYSTEMATIC NAME: 7-(1H-imidazol-2-ylamino)-3-[[1-(2-methylsulfanylethyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
MOLECULAR FORMULA: C15H18N8O3S3
MOLECULAR WEIGHT: 454.55022
SMILES: CSCCN1C(=NN=N1)SCC2=C(N3C(C(C3=O)NC4=NC=CN4)SC2)C(=O)O
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Product OPENEYE NAME: 3-[[1-[2-(dimethylamino)ethyl]tetrazol-5-yl]sulfanylmethyl]-7-(1H-imidazol-2-ylamino)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CAS Name: 3-[[[1-[2-(dimethylamino)ethyl]-5-tetrazolyl]thio]methyl]-7-(1H-imidazol-2-ylamino)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
IUPAC NAME: 3-[[1-[2-(dimethylamino)ethyl]tetrazol-5-yl]sulfanylmethyl]-7-(1H-imidazol-2-ylamino)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
SYSTEMATIC NAME: 3-[[1-[2-(dimethylamino)ethyl]-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]-7-(1H-imidazol-2-ylamino)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
MOLECULAR FORMULA: C16H21N9O3S2
MOLECULAR WEIGHT: 451.52644
SMILES: CN(C)CCN1C(=NN=N1)SCC2=C(N3C(C(C3=O)NC4=NC=CN4)SC2)C(=O)O
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