Friday, September 28, 2012

All Chemical Compounds Information




Product OPENEYE NAME: 7-oxo-3-(tetrazol-1-ylmethyl)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
CAS Name: 7-oxo-3-(1-tetrazolylmethyl)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
IUPAC NAME: 7-oxo-3-(tetrazol-1-ylmethyl)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
SYSTEMATIC NAME: 7-oxidanylidene-3-(1,2,3,4-tetrazol-1-ylmethyl)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
MOLECULAR FORMULA: C8H9N5O3S
MOLECULAR WEIGHT: 255.25376
SMILES: C1C2N(C1=O)C(C(S2)CN3C=NN=N3)C(=O)O
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Product OPENEYE NAME: (4-nitrophenyl)methyl 3-[(4-benzyloxycarbonyltriazol-2-yl)methyl]-3-methyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
CAS Name: 3-methyl-7-oxo-3-[(4-phenylmethoxycarbonyl-2-triazolyl)methyl]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (4-nitrophenyl)methyl ester
IUPAC NAME: (4-nitrophenyl)methyl 3-methyl-7-oxo-3-[(4-phenylmethoxycarbonyltriazol-2-yl)methyl]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
SYSTEMATIC NAME: (4-nitrophenyl)methyl 3-methyl-7-oxidanylidene-3-[(4-phenylmethoxycarbonyl-1,2,3-triazol-2-yl)methyl]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
MOLECULAR FORMULA: C25H23N5O7S
MOLECULAR WEIGHT: 537.54442
SMILES: CC1(C(N2C(S1)CC2=O)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])CN4N=CC(=N4)C(=O)OCC5=CC=CC=C5
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Product OPENEYE NAME: dimethyl 2-[[3-methyl-2-[nitro(phenyl)methoxy]carbonyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptan-3-yl]methyl]triazole-4,5-dicarboxylate
CAS Name: 2-[[3-methyl-2-[[nitro(phenyl)methoxy]-oxomethyl]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptan-3-yl]methyl]triazole-4,5-dicarboxylic acid dimethyl ester
IUPAC NAME: dimethyl 2-[[3-methyl-2-[nitro(phenyl)methoxy]carbonyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptan-3-yl]methyl]triazole-4,5-dicarboxylate
SYSTEMATIC NAME: dimethyl 2-[[3-methyl-2-[nitro(phenyl)methoxy]carbonyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptan-3-yl]methyl]-1,2,3-triazole-4,5-dicarboxylate
MOLECULAR FORMULA: C21H21N5O9S
MOLECULAR WEIGHT: 519.48454
SMILES: CC1(C(N2C(S1)CC2=O)C(=O)OC(C3=CC=CC=C3)[N+](=O)[O-])CN4N=C(C(=N4)C(=O)OC)C(=O)OC
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Product OPENEYE NAME: [nitro(phenyl)methyl] 3-methyl-3-[[4-[(4-nitrophenyl)methoxycarbonyl]triazol-2-yl]methyl]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
CAS Name: 3-methyl-3-[[4-[(4-nitrophenyl)methoxy-oxomethyl]-2-triazolyl]methyl]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid [nitro(phenyl)methyl] ester
IUPAC NAME: [nitro(phenyl)methyl] 3-methyl-3-[[4-[(4-nitrophenyl)methoxycarbonyl]triazol-2-yl]methyl]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
SYSTEMATIC NAME: [nitro(phenyl)methyl] 3-methyl-3-[[4-[(4-nitrophenyl)methoxycarbonyl]-1,2,3-triazol-2-yl]methyl]-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
MOLECULAR FORMULA: C25H22N6O9S
MOLECULAR WEIGHT: 582.54198
SMILES: CC1(C(N2C(S1)CC2=O)C(=O)OC(C3=CC=CC=C3)[N+](=O)[O-])CN4N=CC(=N4)C(=O)OCC5=CC=C(C=C5)[N+](=O)[O-]
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Product OPENEYE NAME: dimethyl 2-[(3-methyl-4,4,7-trioxo-4$l^{6}-thia-1-azabicyclo[3.2.0]heptane-2-carbonyl)oxymethyl]triazole-4,5-dicarboxylate
CAS Name: 2-[[(3-methyl-4,4,7-trioxo-4$l^{6}-thia-1-azabicyclo[3.2.0]heptan-2-yl)-oxomethoxy]methyl]triazole-4,5-dicarboxylic acid dimethyl ester
IUPAC NAME: dimethyl 2-[(3-methyl-4,4,7-trioxo-4$l^{6}-thia-1-azabicyclo[3.2.0]heptane-2-carbonyl)oxymethyl]triazole-4,5-dicarboxylate
SYSTEMATIC NAME: dimethyl 2-[[3-methyl-4,4,7-tris(oxidanylidene)-4$l^{6}-thia-1-azabicyclo[3.2.0]heptan-2-yl]carbonyloxymethyl]-1,2,3-triazole-4,5-dicarboxylate
MOLECULAR FORMULA: C14H16N4O9S
MOLECULAR WEIGHT: 416.36324
SMILES: CC1C(N2C(S1(=O)=O)CC2=O)C(=O)OCN3N=C(C(=N3)C(=O)OC)C(=O)OC
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Product OPENEYE NAME: [nitro(phenyl)methyl] 3-(imidazol-1-ylmethyl)-3-methyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
CAS Name: 3-(1-imidazolylmethyl)-3-methyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid [nitro(phenyl)methyl] ester
IUPAC NAME: [nitro(phenyl)methyl] 3-(imidazol-1-ylmethyl)-3-methyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
SYSTEMATIC NAME: [nitro(phenyl)methyl] 3-(imidazol-1-ylmethyl)-3-methyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
MOLECULAR FORMULA: C18H18N4O5S
MOLECULAR WEIGHT: 402.42432
SMILES: CC1(C(N2C(S1)CC2=O)C(=O)OC(C3=CC=CC=C3)[N+](=O)[O-])CN4C=CN=C4
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Product OPENEYE NAME: [nitro(phenyl)methyl] 3-methyl-7-oxo-3-(pyrazol-1-ylmethyl)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
CAS Name: 3-methyl-7-oxo-3-(1-pyrazolylmethyl)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid [nitro(phenyl)methyl] ester
IUPAC NAME: [nitro(phenyl)methyl] 3-methyl-7-oxo-3-(pyrazol-1-ylmethyl)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
SYSTEMATIC NAME: [nitro(phenyl)methyl] 3-methyl-7-oxidanylidene-3-(pyrazol-1-ylmethyl)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
MOLECULAR FORMULA: C18H18N4O5S
MOLECULAR WEIGHT: 402.42432
SMILES: CC1(C(N2C(S1)CC2=O)C(=O)OC(C3=CC=CC=C3)[N+](=O)[O-])CN4C=CC=N4
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Product OPENEYE NAME: [nitro(phenyl)methyl] 3-methyl-4,7-dioxo-3-(pyrazol-1-ylmethyl)-4$l^{4}-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
CAS Name: 3-methyl-4,7-dioxo-3-(1-pyrazolylmethyl)-4$l^{4}-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid [nitro(phenyl)methyl] ester
IUPAC NAME: [nitro(phenyl)methyl] 3-methyl-4,7-dioxo-3-(pyrazol-1-ylmethyl)-4$l^{4}-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
SYSTEMATIC NAME: [nitro(phenyl)methyl] 3-methyl-4,7-bis(oxidanylidene)-3-(pyrazol-1-ylmethyl)-4$l^{4}-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
MOLECULAR FORMULA: C18H18N4O6S
MOLECULAR WEIGHT: 418.42372
SMILES: CC1(C(N2C(S1=O)CC2=O)C(=O)OC(C3=CC=CC=C3)[N+](=O)[O-])CN4C=CC=N4
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Product OPENEYE NAME: (4-nitrophenyl)methyl 3-methyl-7-oxo-3-[[4-(p-tolylmethoxycarbonyl)triazol-2-yl]methyl]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
CAS Name: 3-methyl-3-[[4-[(4-methylphenyl)methoxy-oxomethyl]-2-triazolyl]methyl]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (4-nitrophenyl)methyl ester
IUPAC NAME: (4-nitrophenyl)methyl 3-methyl-3-[[4-[(4-methylphenyl)methoxycarbonyl]triazol-2-yl]methyl]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
SYSTEMATIC NAME: (4-nitrophenyl)methyl 3-methyl-3-[[4-[(4-methylphenyl)methoxycarbonyl]-1,2,3-triazol-2-yl]methyl]-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
MOLECULAR FORMULA: C26H25N5O7S
MOLECULAR WEIGHT: 551.571
SMILES: CC1=CC=C(C=C1)COC(=O)C2=NN(N=C2)CC3(C(N4C(S3)CC4=O)C(=O)OCC5=CC=C(C=C5)[N+](=O)[O-])C
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Product OPENEYE NAME: 6-methyl-7-oxo-6-(1,2,4-triazol-1-yl)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
CAS Name: 6-methyl-7-oxo-6-(1,2,4-triazol-1-yl)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
IUPAC NAME: 6-methyl-7-oxo-6-(1,2,4-triazol-1-yl)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
SYSTEMATIC NAME: 6-methyl-7-oxidanylidene-6-(1,2,4-triazol-1-yl)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
MOLECULAR FORMULA: C9H9N4O3S-
MOLECULAR WEIGHT: 253.25776
SMILES: CC1(C2N(C1=O)C(CS2)C(=O)[O-])N3C=NC=N3
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Product OPENEYE NAME: 6-methyl-7-oxo-6-(1,2,4-triazol-1-yl)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
CAS Name: 6-methyl-7-oxo-6-(1,2,4-triazol-1-yl)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
IUPAC NAME: 6-methyl-7-oxo-6-(1,2,4-triazol-1-yl)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
SYSTEMATIC NAME: 6-methyl-7-oxidanylidene-6-(1,2,4-triazol-1-yl)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
MOLECULAR FORMULA: C9H10N4O3S
MOLECULAR WEIGHT: 254.2657
SMILES: CC1(C2N(C1=O)C(CS2)C(=O)O)N3C=NC=N3
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Product OPENEYE NAME: [nitro(phenyl)methyl] 3-methyl-7-oxo-3-(1,2,4-triazol-1-ylmethyl)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
CAS Name: 3-methyl-7-oxo-3-(1,2,4-triazol-1-ylmethyl)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid [nitro(phenyl)methyl] ester
IUPAC NAME: [nitro(phenyl)methyl] 3-methyl-7-oxo-3-(1,2,4-triazol-1-ylmethyl)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
SYSTEMATIC NAME: [nitro(phenyl)methyl] 3-methyl-7-oxidanylidene-3-(1,2,4-triazol-1-ylmethyl)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
MOLECULAR FORMULA: C17H17N5O5S
MOLECULAR WEIGHT: 403.41238
SMILES: CC1(C(N2C(S1)CC2=O)C(=O)OC(C3=CC=CC=C3)[N+](=O)[O-])CN4C=NC=N4
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Product OPENEYE NAME: 4,4,7-trioxo-3-(triazol-2-ylmethyl)-4$l^{6}-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
CAS Name: 4,4,7-trioxo-3-(2-triazolylmethyl)-4$l^{6}-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
IUPAC NAME: 4,4,7-trioxo-3-(triazol-2-ylmethyl)-4$l^{6}-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
SYSTEMATIC NAME: 4,4,7-tris(oxidanylidene)-3-(1,2,3-triazol-2-ylmethyl)-4$l^{6}-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
MOLECULAR FORMULA: C9H9N4O5S-
MOLECULAR WEIGHT: 285.25656
SMILES: C1C2N(C1=O)C(C(S2(=O)=O)CN3N=CC=N3)C(=O)[O-]
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Product OPENEYE NAME: 4,4,7-trioxo-3-(triazol-2-ylmethyl)-4$l^{6}-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
CAS Name: 4,4,7-trioxo-3-(2-triazolylmethyl)-4$l^{6}-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
IUPAC NAME: 4,4,7-trioxo-3-(triazol-2-ylmethyl)-4$l^{6}-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
SYSTEMATIC NAME: 4,4,7-tris(oxidanylidene)-3-(1,2,3-triazol-2-ylmethyl)-4$l^{6}-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
MOLECULAR FORMULA: C9H10N4O5S
MOLECULAR WEIGHT: 286.2645
SMILES: C1C2N(C1=O)C(C(S2(=O)=O)CN3N=CC=N3)C(=O)O
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Product OPENEYE NAME: 4,4,7-trioxo-3-(1,2,4-triazol-1-ylmethyl)-4$l^{6}-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
CAS Name: 4,4,7-trioxo-3-(1,2,4-triazol-1-ylmethyl)-4$l^{6}-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
IUPAC NAME: 4,4,7-trioxo-3-(1,2,4-triazol-1-ylmethyl)-4$l^{6}-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
SYSTEMATIC NAME: 4,4,7-tris(oxidanylidene)-3-(1,2,4-triazol-1-ylmethyl)-4$l^{6}-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
MOLECULAR FORMULA: C9H9N4O5S-
MOLECULAR WEIGHT: 285.25656
SMILES: C1C2N(C1=O)C(C(S2(=O)=O)CN3C=NC=N3)C(=O)[O-]
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Product OPENEYE NAME: 4,4,7-trioxo-3-(1,2,4-triazol-1-ylmethyl)-4$l^{6}-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
CAS Name: 4,4,7-trioxo-3-(1,2,4-triazol-1-ylmethyl)-4$l^{6}-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
IUPAC NAME: 4,4,7-trioxo-3-(1,2,4-triazol-1-ylmethyl)-4$l^{6}-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
SYSTEMATIC NAME: 4,4,7-tris(oxidanylidene)-3-(1,2,4-triazol-1-ylmethyl)-4$l^{6}-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
MOLECULAR FORMULA: C9H10N4O5S
MOLECULAR WEIGHT: 286.2645
SMILES: C1C2N(C1=O)C(C(S2(=O)=O)CN3C=NC=N3)C(=O)O
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Product OPENEYE NAME: phenyl 4-chloro-3-[(2-chloro-4,4-dimethyl-3-oxo-pentanoyl)amino]benzoate
CAS Name: 4-chloro-3-[(2-chloro-4,4-dimethyl-1,3-dioxopentyl)amino]benzoic acid phenyl ester
IUPAC NAME: phenyl 4-chloro-3-[(2-chloro-4,4-dimethyl-3-oxopentanoyl)amino]benzoate
SYSTEMATIC NAME: phenyl 4-chloranyl-3-[(2-chloranyl-4,4-dimethyl-3-oxidanylidene-pentanoyl)amino]benzoate
MOLECULAR FORMULA: C20H19Cl2NO4
MOLECULAR WEIGHT: 408.27516
SMILES: CC(C)(C)C(=O)C(C(=O)NC1=C(C=CC(=C1)C(=O)OC2=CC=CC=C2)Cl)Cl
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Product OPENEYE NAME: 5-amino-3-chloro-2-(1-ethylhexyl)-6-methoxy-4-methyl-benzamide
CAS Name: 3-amino-5-chloro-2-methoxy-4-methyl-6-octan-3-ylbenzamide
IUPAC NAME: 3-amino-5-chloro-2-methoxy-4-methyl-6-octan-3-ylbenzamide
SYSTEMATIC NAME: 3-azanyl-5-chloranyl-2-methoxy-4-methyl-6-octan-3-yl-benzamide
MOLECULAR FORMULA: C17H27ClN2O2
MOLECULAR WEIGHT: 326.86148
SMILES: CCCCCC(CC)C1=C(C(=C(C(=C1Cl)C)N)OC)C(=O)N
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Product OPENEYE NAME: copper nickelous sulfide
CAS Name: copper nickel(2+) sulfide
IUPAC NAME: copper nickel(2+) sulfide
SYSTEMATIC NAME: copper nickel(2+) sulfide
MOLECULAR FORMULA: CuNiS+2
MOLECULAR WEIGHT: 154.3044
SMILES: [S-2].[Ni+2].[Cu+2]
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Product OPENEYE NAME: N,N-dimethylformamide; 3-[(3-methylimidazo[4,5-c]pyridin-5-ium-5-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate; hydrate
CAS Name: N,N-dimethylformamide; 3-[(3-methyl-5-imidazo[4,5-c]pyridin-5-iumyl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate; hydrate
IUPAC NAME: N,N-dimethylformamide; 3-[(3-methylimidazo[4,5-c]pyridin-5-ium-5-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate; hydrate
SYSTEMATIC NAME: N,N-dimethylmethanamide; 3-[(3-methylimidazo[4,5-c]pyridin-5-ium-5-yl)methyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate; hydrate
MOLECULAR FORMULA: C18H23N5O5S
MOLECULAR WEIGHT: 421.47072
SMILES: CN1C=NC2=C1C=[N+](C=C2)CC3=C(N4C(CC4=O)SC3)C(=O)[O-].CN(C)C=O.O
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Product OPENEYE NAME: 3-[(3-methylimidazo[4,5-c]pyridin-5-ium-5-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CAS Name: 3-[(3-methyl-5-imidazo[4,5-c]pyridin-5-iumyl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
IUPAC NAME: 3-[(3-methylimidazo[4,5-c]pyridin-5-ium-5-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
SYSTEMATIC NAME: 3-[(3-methylimidazo[4,5-c]pyridin-5-ium-5-yl)methyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
MOLECULAR FORMULA: C15H15N4O3S+
MOLECULAR WEIGHT: 331.3696
SMILES: CN1C=NC2=C1C=[N+](C=C2)CC3=C(N4C(CC4=O)SC3)C(=O)O
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Product OPENEYE NAME: N,N-dimethylacetamide; 3-[(3-methylimidazo[4,5-c]pyridin-5-ium-5-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate; hydrate
CAS Name: N,N-dimethylacetamide; 3-[(3-methyl-5-imidazo[4,5-c]pyridin-5-iumyl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate; hydrate
IUPAC NAME: N,N-dimethylacetamide; 3-[(3-methylimidazo[4,5-c]pyridin-5-ium-5-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate; hydrate
SYSTEMATIC NAME: N,N-dimethylethanamide; 3-[(3-methylimidazo[4,5-c]pyridin-5-ium-5-yl)methyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate; hydrate
MOLECULAR FORMULA: C19H25N5O5S
MOLECULAR WEIGHT: 435.4973
SMILES: CC(=O)N(C)C.CN1C=NC2=C1C=[N+](C=C2)CC3=C(N4C(CC4=O)SC3)C(=O)[O-].O
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Product OPENEYE NAME: N,N-dimethylformamide; 7-[(3-methylimidazo[4,5-c]pyridin-5-ium-5-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate; hydrate
CAS Name: N,N-dimethylformamide; 7-[(3-methyl-5-imidazo[4,5-c]pyridin-5-iumyl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate; hydrate
IUPAC NAME: N,N-dimethylformamide; 7-[(3-methylimidazo[4,5-c]pyridin-5-ium-5-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate; hydrate
SYSTEMATIC NAME: N,N-dimethylmethanamide; 7-[(3-methylimidazo[4,5-c]pyridin-5-ium-5-yl)methyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate; hydrate
MOLECULAR FORMULA: C18H23N5O5S
MOLECULAR WEIGHT: 421.47072
SMILES: CN1C=NC2=C1C=[N+](C=C2)CC3C4N(C3=O)C(=CCS4)C(=O)[O-].CN(C)C=O.O
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Product OPENEYE NAME: 7-[(3-methylimidazo[4,5-c]pyridin-5-ium-5-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CAS Name: 7-[(3-methyl-5-imidazo[4,5-c]pyridin-5-iumyl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
IUPAC NAME: 7-[(3-methylimidazo[4,5-c]pyridin-5-ium-5-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
SYSTEMATIC NAME: 7-[(3-methylimidazo[4,5-c]pyridin-5-ium-5-yl)methyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
MOLECULAR FORMULA: C15H15N4O3S+
MOLECULAR WEIGHT: 331.3696
SMILES: CN1C=NC2=C1C=[N+](C=C2)CC3C4N(C3=O)C(=CCS4)C(=O)O
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