Saturday, December 3, 2011

All Chemical Compounds Information




Product OPENEYE NAME: sodium (2S)-3,3-dimethyl-7-oxo-6-[[(E)-2-(2-thienyl)vinyl]carbamoylamino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
CAS Name: sodium (2S)-3,3-dimethyl-7-oxo-6-[[oxo-[[(E)-2-thiophen-2-ylethenyl]amino]methyl]amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
IUPAC NAME: sodium (2S)-3,3-dimethyl-7-oxo-6-[[(E)-2-thiophen-2-ylethenyl]carbamoylamino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
SYSTEMATIC NAME: sodium (2S)-3,3-dimethyl-7-oxidanylidene-6-[[(E)-2-thiophen-2-ylethenyl]carbamoylamino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
MOLECULAR FORMULA: C15H16N3NaO4S2
MOLECULAR WEIGHT: 389.42501
SMILES: CC1([C@@H](N2C(S1)C(C2=O)NC(=O)N/C=C/C3=CC=CS3)C(=O)[O-])C.[Na+]
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Product OPENEYE NAME: (2S)-3,3-dimethyl-7-oxo-6-[[(E)-2-(2-thienyl)vinyl]carbamoylamino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
CAS Name: (2S)-3,3-dimethyl-7-oxo-6-[[oxo-[[(E)-2-thiophen-2-ylethenyl]amino]methyl]amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
IUPAC NAME: (2S)-3,3-dimethyl-7-oxo-6-[[(E)-2-thiophen-2-ylethenyl]carbamoylamino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
SYSTEMATIC NAME: (2S)-3,3-dimethyl-7-oxidanylidene-6-[[(E)-2-thiophen-2-ylethenyl]carbamoylamino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
MOLECULAR FORMULA: C15H17N3O4S2
MOLECULAR WEIGHT: 367.44318
SMILES: CC1([C@@H](N2C(S1)C(C2=O)NC(=O)N/C=C/C3=CC=CS3)C(=O)O)C
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Product OPENEYE NAME: 3-[[(E)-(6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-9-ylidene)methyl]amino]benzoic acid
CAS Name: 3-[[(E)-(6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-9-ylidene)methyl]amino]benzoic acid
IUPAC NAME: 3-[[(E)-(6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-9-ylidene)methyl]amino]benzoic acid
SYSTEMATIC NAME: 3-[[(E)-(6-methyl-4-oxidanylidene-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-9-ylidene)methyl]amino]benzoic acid
MOLECULAR FORMULA: C17H17N3O3
MOLECULAR WEIGHT: 311.33518
SMILES: CC1CC/C(=C\NC2=CC=CC(=C2)C(=O)O)/C3=NC=CC(=O)N13
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Product OPENEYE NAME: sodium (2S)-6-[[(E)-2-(1,3-benzodioxol-5-yl)vinyl]carbamoylamino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
CAS Name: sodium (2S)-6-[[[[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]amino]-oxomethyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
IUPAC NAME: sodium (2S)-6-[[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]carbamoylamino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
SYSTEMATIC NAME: sodium (2S)-6-[[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]carbamoylamino]-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
MOLECULAR FORMULA: C18H18N3NaO6S
MOLECULAR WEIGHT: 427.40679
SMILES: CC1([C@@H](N2C(S1)C(C2=O)NC(=O)N/C=C/C3=CC4=C(C=C3)OCO4)C(=O)[O-])C.[Na+]
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Product OPENEYE NAME: (2S)-6-[[(E)-2-(1,3-benzodioxol-5-yl)vinyl]carbamoylamino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
CAS Name: (2S)-6-[[[[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]amino]-oxomethyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
IUPAC NAME: (2S)-6-[[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]carbamoylamino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
SYSTEMATIC NAME: (2S)-6-[[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]carbamoylamino]-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
MOLECULAR FORMULA: C18H19N3O6S
MOLECULAR WEIGHT: 405.42496
SMILES: CC1([C@@H](N2C(S1)C(C2=O)NC(=O)N/C=C/C3=CC4=C(C=C3)OCO4)C(=O)O)C
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Product OPENEYE NAME: ethyl (E)-3-[(9E)-6-methyl-4-oxo-9-(phenylhydrazono)-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enoate
CAS Name: (E)-3-[(9E)-6-methyl-4-oxo-9-(phenylhydrazinylidene)-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-3-yl]-2-propenoic acid ethyl ester
IUPAC NAME: ethyl (E)-3-[(9E)-6-methyl-4-oxo-9-(phenylhydrazinylidene)-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enoate
SYSTEMATIC NAME: ethyl (E)-3-[(9E)-6-methyl-4-oxidanylidene-9-(phenylhydrazinylidene)-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enoate
MOLECULAR FORMULA: C20H22N4O3
MOLECULAR WEIGHT: 366.41368
SMILES: CCOC(=O)/C=C/C1=CN=C2/C(=N/NC3=CC=CC=C3)/CCC(N2C1=O)C
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Product OPENEYE NAME: 2-[4-[[6-butyl-3-(morpholine-4-carbonyl)-2-oxo-1-pyridyl]methyl]phenyl]benzoic acid
CAS Name: 2-[4-[[6-butyl-3-[4-morpholinyl(oxo)methyl]-2-oxo-1-pyridinyl]methyl]phenyl]benzoic acid
IUPAC NAME: 2-[4-[[6-butyl-3-(morpholine-4-carbonyl)-2-oxopyridin-1-yl]methyl]phenyl]benzoic acid
SYSTEMATIC NAME: 2-[4-[(6-butyl-3-morpholin-4-ylcarbonyl-2-oxidanylidene-pyridin-1-yl)methyl]phenyl]benzoic acid
MOLECULAR FORMULA: C28H30N2O5
MOLECULAR WEIGHT: 474.5482
SMILES: CCCCC1=CC=C(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)C(=O)N4CCOCC4
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C22H29N3O
MOLECULAR WEIGHT: 351.48516
SMILES: CCN(CC)C(=O)[C@H]1CN([C@@H]2CC3=CNC4=CC=CC(=C34)C2=C1)C(C)C
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Product OPENEYE NAME: 5-[(4-isopropylphenyl)-piperazin-1-yl-methyl]isothiazole
CAS Name: 5-[1-piperazinyl-(4-propan-2-ylphenyl)methyl]isothiazole
IUPAC NAME: 5-[piperazin-1-yl-(4-propan-2-ylphenyl)methyl]-1,2-thiazole
SYSTEMATIC NAME: 5-[piperazin-1-yl-(4-propan-2-ylphenyl)methyl]-1,2-thiazole
MOLECULAR FORMULA: C17H23N3S
MOLECULAR WEIGHT: 301.44962
SMILES: CC(C)C1=CC=C(C=C1)C(C2=CC=NS2)N3CCNCC3
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Product OPENEYE NAME: 5-[(4-chlorophenyl)-(4-methylpiperazin-1-yl)methyl]isothiazole
CAS Name: 5-[(4-chlorophenyl)-(4-methyl-1-piperazinyl)methyl]isothiazole
IUPAC NAME: 5-[(4-chlorophenyl)-(4-methylpiperazin-1-yl)methyl]-1,2-thiazole
SYSTEMATIC NAME: 5-[(4-chlorophenyl)-(4-methylpiperazin-1-yl)methyl]-1,2-thiazole
MOLECULAR FORMULA: C15H18ClN3S
MOLECULAR WEIGHT: 307.84152
SMILES: CN1CCN(CC1)C(C2=CC=C(C=C2)Cl)C3=CC=NS3
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Product OPENEYE NAME: (1S,2S)-N2-benzyl-N1-[(1R)-1-formyl-4-guanidino-butyl]-N2-methyl-cyclohexane-1,2-dicarboxamide
CAS Name: (1S,2S)-N1-[(2R)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-N2-methyl-N2-(phenylmethyl)cyclohexane-1,2-dicarboxamide
IUPAC NAME: (1S,2S)-2-N-benzyl-1-N-[(2R)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-N-methylcyclohexane-1,2-dicarboxamide
SYSTEMATIC NAME: (1S,2S)-N1-[(2R)-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]-N2-methyl-N2-(phenylmethyl)cyclohexane-1,2-dicarboxamide
MOLECULAR FORMULA: C22H33N5O3
MOLECULAR WEIGHT: 415.52912
SMILES: CN(CC1=CC=CC=C1)C(=O)[C@H]2CCCC[C@@H]2C(=O)N[C@H](CCCN=C(N)N)C=O
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Product OPENEYE NAME: (3S,4S)-1-benzyl-4-(naphthalene-2-carbonylamino)-5-oxo-pyrrolidine-3-carboxylic acid
CAS Name: (3S,4S)-4-[[2-naphthalenyl(oxo)methyl]amino]-5-oxo-1-(phenylmethyl)-3-pyrrolidinecarboxylic acid
IUPAC NAME: (3S,4S)-1-benzyl-4-(naphthalene-2-carbonylamino)-5-oxopyrrolidine-3-carboxylic acid
SYSTEMATIC NAME: (3S,4S)-4-(naphthalen-2-ylcarbonylamino)-5-oxidanylidene-1-(phenylmethyl)pyrrolidine-3-carboxylic acid
MOLECULAR FORMULA: C23H20N2O4
MOLECULAR WEIGHT: 388.4159
SMILES: C1[C@@H]([C@@H](C(=O)N1CC2=CC=CC=C2)NC(=O)C3=CC4=CC=CC=C4C=C3)C(=O)O
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Product OPENEYE NAME: (1R,2R)-N2-benzyl-N1-[(1R)-1-formyl-4-guanidino-butyl]-N2-methyl-cyclohexane-1,2-dicarboxamide
CAS Name: (1R,2R)-N1-[(2R)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-N2-methyl-N2-(phenylmethyl)cyclohexane-1,2-dicarboxamide
IUPAC NAME: (1R,2R)-2-N-benzyl-1-N-[(2R)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-N-methylcyclohexane-1,2-dicarboxamide
SYSTEMATIC NAME: (1R,2R)-N1-[(2R)-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]-N2-methyl-N2-(phenylmethyl)cyclohexane-1,2-dicarboxamide
MOLECULAR FORMULA: C22H33N5O3
MOLECULAR WEIGHT: 415.52912
SMILES: CN(CC1=CC=CC=C1)C(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@H](CCCN=C(N)N)C=O
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Product OPENEYE NAME: sodium (2S)-6-[[(E)-2-(4-chlorophenyl)vinyl]carbamoylamino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
CAS Name: sodium (2S)-6-[[[[(E)-2-(4-chlorophenyl)ethenyl]amino]-oxomethyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
IUPAC NAME: sodium (2S)-6-[[(E)-2-(4-chlorophenyl)ethenyl]carbamoylamino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
SYSTEMATIC NAME: sodium (2S)-6-[[(E)-2-(4-chlorophenyl)ethenyl]carbamoylamino]-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
MOLECULAR FORMULA: C17H17ClN3NaO4S
MOLECULAR WEIGHT: 417.84235
SMILES: CC1([C@@H](N2C(S1)C(C2=O)NC(=O)N/C=C/C3=CC=C(C=C3)Cl)C(=O)[O-])C.[Na+]
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Product OPENEYE NAME: (2S)-6-[[(E)-2-(4-chlorophenyl)vinyl]carbamoylamino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
CAS Name: (2S)-6-[[[[(E)-2-(4-chlorophenyl)ethenyl]amino]-oxomethyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
IUPAC NAME: (2S)-6-[[(E)-2-(4-chlorophenyl)ethenyl]carbamoylamino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
SYSTEMATIC NAME: (2S)-6-[[(E)-2-(4-chlorophenyl)ethenyl]carbamoylamino]-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
MOLECULAR FORMULA: C17H18ClN3O4S
MOLECULAR WEIGHT: 395.86052
SMILES: CC1([C@@H](N2C(S1)C(C2=O)NC(=O)N/C=C/C3=CC=C(C=C3)Cl)C(=O)O)C
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Product OPENEYE NAME: N2-benzyl-N1-[(1R)-1-formyl-4-guanidino-butyl]-N2-methyl-cyclohexane-1,2-dicarboxamide
CAS Name: N1-[(2R)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-N2-methyl-N2-(phenylmethyl)cyclohexane-1,2-dicarboxamide
IUPAC NAME: 2-N-benzyl-1-N-[(2R)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-N-methylcyclohexane-1,2-dicarboxamide
SYSTEMATIC NAME: N1-[(2R)-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]-N2-methyl-N2-(phenylmethyl)cyclohexane-1,2-dicarboxamide
MOLECULAR FORMULA: C22H33N5O3
MOLECULAR WEIGHT: 415.52912
SMILES: CN(CC1=CC=CC=C1)C(=O)C2CCCCC2C(=O)N[C@H](CCCN=C(N)N)C=O
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Product OPENEYE NAME: (3S,4R)-4-(1H-indole-2-carbonylamino)-5-oxo-1-phenyl-pyrrolidine-3-carboxylic acid
CAS Name: (3S,4R)-4-[[1H-indol-2-yl(oxo)methyl]amino]-5-oxo-1-phenyl-3-pyrrolidinecarboxylic acid
IUPAC NAME: (3S,4R)-4-(1H-indole-2-carbonylamino)-5-oxo-1-phenylpyrrolidine-3-carboxylic acid
SYSTEMATIC NAME: (3S,4R)-4-(1H-indol-2-ylcarbonylamino)-5-oxidanylidene-1-phenyl-pyrrolidine-3-carboxylic acid
MOLECULAR FORMULA: C20H17N3O4
MOLECULAR WEIGHT: 363.36668
SMILES: C1[C@@H]([C@H](C(=O)N1C2=CC=CC=C2)NC(=O)C3=CC4=CC=CC=C4N3)C(=O)O
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Product OPENEYE NAME: tert-butyl (3S,4S)-4-(naphthalene-2-carbonylamino)-5-oxo-1-phenyl-pyrrolidine-3-carboxylate
CAS Name: (3S,4S)-4-[[2-naphthalenyl(oxo)methyl]amino]-5-oxo-1-phenyl-3-pyrrolidinecarboxylic acid tert-butyl ester
IUPAC NAME: tert-butyl (3S,4S)-4-(naphthalene-2-carbonylamino)-5-oxo-1-phenylpyrrolidine-3-carboxylate
SYSTEMATIC NAME: tert-butyl (3S,4S)-4-(naphthalen-2-ylcarbonylamino)-5-oxidanylidene-1-phenyl-pyrrolidine-3-carboxylate
MOLECULAR FORMULA: C26H26N2O4
MOLECULAR WEIGHT: 430.49564
SMILES: CC(C)(C)OC(=O)[C@H]1CN(C(=O)[C@H]1NC(=O)C2=CC3=CC=CC=C3C=C2)C4=CC=CC=C4
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Product OPENEYE NAME: methyl (2R)-2-[[(1R,3S)-1-(4-hydroxy-3,5-dimethoxy-phenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carbonyl]amino]propanoate
CAS Name: (2R)-2-[[[(1R,3S)-1-(4-hydroxy-3,5-dimethoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-3-yl]-oxomethyl]amino]propanoic acid methyl ester
IUPAC NAME: methyl (2R)-2-[[(1R,3S)-1-(4-hydroxy-3,5-dimethoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carbonyl]amino]propanoate
SYSTEMATIC NAME: methyl (2R)-2-[[(1R,3S)-1-(3,5-dimethoxy-4-oxidanyl-phenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-3-yl]carbonylamino]propanoate
MOLECULAR FORMULA: C24H27N3O6
MOLECULAR WEIGHT: 453.48768
SMILES: C[C@H](C(=O)OC)NC(=O)[C@@H]1CC2=C([C@H](N1)C3=CC(=C(C(=C3)OC)O)OC)NC4=CC=CC=C24
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C23H23N3O5
MOLECULAR WEIGHT: 421.44582
SMILES: C[C@@H]1C(=O)N2[C@@H](CC3=C([C@H]2C4=CC(=C(C(=C4)OC)O)OC)NC5=CC=CC=C35)C(=O)N1
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Product OPENEYE NAME: methyl (2R)-2-[[(1R,3S)-1-(4-hydroxy-3,5-dimethoxy-phenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carbonyl]amino]-3-methyl-butanoate
CAS Name: (2R)-2-[[[(1R,3S)-1-(4-hydroxy-3,5-dimethoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-3-yl]-oxomethyl]amino]-3-methylbutanoic acid methyl ester
IUPAC NAME: methyl (2R)-2-[[(1R,3S)-1-(4-hydroxy-3,5-dimethoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carbonyl]amino]-3-methylbutanoate
SYSTEMATIC NAME: methyl (2R)-2-[[(1R,3S)-1-(3,5-dimethoxy-4-oxidanyl-phenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-3-yl]carbonylamino]-3-methyl-butanoate
MOLECULAR FORMULA: C26H31N3O6
MOLECULAR WEIGHT: 481.54084
SMILES: CC(C)[C@H](C(=O)OC)NC(=O)[C@@H]1CC2=C([C@H](N1)C3=CC(=C(C(=C3)OC)O)OC)NC4=CC=CC=C24
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Product OPENEYE NAME: sodium (2S)-3,3-dimethyl-6-[[(E)-2-(1-naphthyl)vinyl]carbamoylamino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
CAS Name: sodium (2S)-3,3-dimethyl-6-[[[[(E)-2-(1-naphthalenyl)ethenyl]amino]-oxomethyl]amino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
IUPAC NAME: sodium (2S)-3,3-dimethyl-6-[[(E)-2-naphthalen-1-ylethenyl]carbamoylamino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
SYSTEMATIC NAME: sodium (2S)-3,3-dimethyl-6-[[(E)-2-naphthalen-1-ylethenyl]carbamoylamino]-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
MOLECULAR FORMULA: C21H20N3NaO4S
MOLECULAR WEIGHT: 433.45597
SMILES: CC1([C@@H](N2C(S1)C(C2=O)NC(=O)N/C=C/C3=CC=CC4=CC=CC=C43)C(=O)[O-])C.[Na+]
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Product OPENEYE NAME: (2S)-3,3-dimethyl-6-[[(E)-2-(1-naphthyl)vinyl]carbamoylamino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
CAS Name: (2S)-3,3-dimethyl-6-[[[[(E)-2-(1-naphthalenyl)ethenyl]amino]-oxomethyl]amino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
IUPAC NAME: (2S)-3,3-dimethyl-6-[[(E)-2-naphthalen-1-ylethenyl]carbamoylamino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
SYSTEMATIC NAME: (2S)-3,3-dimethyl-6-[[(E)-2-naphthalen-1-ylethenyl]carbamoylamino]-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
MOLECULAR FORMULA: C21H21N3O4S
MOLECULAR WEIGHT: 411.47414
SMILES: CC1([C@@H](N2C(S1)C(C2=O)NC(=O)N/C=C/C3=CC=CC4=CC=CC=C43)C(=O)O)C
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Product OPENEYE NAME: sodium (2S)-3,3-dimethyl-6-[[(E)-2-(2-naphthyl)vinyl]carbamoylamino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
CAS Name: sodium (2S)-3,3-dimethyl-6-[[[[(E)-2-(2-naphthalenyl)ethenyl]amino]-oxomethyl]amino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
IUPAC NAME: sodium (2S)-3,3-dimethyl-6-[[(E)-2-naphthalen-2-ylethenyl]carbamoylamino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
SYSTEMATIC NAME: sodium (2S)-3,3-dimethyl-6-[[(E)-2-naphthalen-2-ylethenyl]carbamoylamino]-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
MOLECULAR FORMULA: C21H20N3NaO4S
MOLECULAR WEIGHT: 433.45597
SMILES: CC1([C@@H](N2C(S1)C(C2=O)NC(=O)N/C=C/C3=CC4=CC=CC=C4C=C3)C(=O)[O-])C.[Na+]
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