Sunday, May 19, 2013

All Chemical Compounds Information



Product OPENEYE NAME: 1,7-dicyclopropyl-5-[(1R)-1-methyl-2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanyl-4-oxo-pyrimido[4,5-d]pyrimidin-2-olate
CAS Name: 1,7-dicyclopropyl-4-oxo-5-[[(2R)-1-oxo-1-[2-(trifluoromethyl)anilino]propan-2-yl]thio]-2-pyrimido[4,5-d]pyrimidinolate
IUPAC NAME: 1,7-dicyclopropyl-4-oxo-5-[(2R)-1-oxo-1-[2-(trifluoromethyl)anilino]propan-2-yl]sulfanylpyrimido[4,5-d]pyrimidin-2-olate
SYSTEMATIC NAME: 1,7-dicyclopropyl-4-oxidanylidene-5-[(2R)-1-oxidanylidene-1-[[2-(trifluoromethyl)phenyl]amino]propan-2-yl]sulfanyl-pyrimido[4,5-d]pyrimidin-2-olate
MOLECULAR FORMULA: C22H19F3N5O3S-
MOLECULAR WEIGHT: 490.47817
SMILES: C[C@H](C(=O)NC1=CC=CC=C1C(F)(F)F)SC2=NC(=NC3=C2C(=O)N=C(N3C4CC4)[O-])C5CC5
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Product OPENEYE NAME: (2R)-2-(1,7-dicyclopropyl-2,4-dioxo-pyrimido[4,5-d]pyrimidin-5-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide
CAS Name: (2R)-2-[(1,7-dicyclopropyl-2,4-dioxo-5-pyrimido[4,5-d]pyrimidinyl)thio]-N-[2-(trifluoromethyl)phenyl]propanamide
IUPAC NAME: (2R)-2-(1,7-dicyclopropyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide
SYSTEMATIC NAME: (2R)-2-[1,7-dicyclopropyl-2,4-bis(oxidanylidene)pyrimido[4,5-d]pyrimidin-5-yl]sulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide
MOLECULAR FORMULA: C22H20F3N5O3S
MOLECULAR WEIGHT: 491.48611
SMILES: C[C@H](C(=O)NC1=CC=CC=C1C(F)(F)F)SC2=NC(=NC3=C2C(=O)NC(=O)N3C4CC4)C5CC5
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Product OPENEYE NAME: 1,7-dicyclopropyl-5-[(1S)-1-methyl-2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanyl-4-oxo-pyrimido[4,5-d]pyrimidin-2-olate
CAS Name: 1,7-dicyclopropyl-4-oxo-5-[[(2S)-1-oxo-1-[2-(trifluoromethyl)anilino]propan-2-yl]thio]-2-pyrimido[4,5-d]pyrimidinolate
IUPAC NAME: 1,7-dicyclopropyl-4-oxo-5-[(2S)-1-oxo-1-[2-(trifluoromethyl)anilino]propan-2-yl]sulfanylpyrimido[4,5-d]pyrimidin-2-olate
SYSTEMATIC NAME: 1,7-dicyclopropyl-4-oxidanylidene-5-[(2S)-1-oxidanylidene-1-[[2-(trifluoromethyl)phenyl]amino]propan-2-yl]sulfanyl-pyrimido[4,5-d]pyrimidin-2-olate
MOLECULAR FORMULA: C22H19F3N5O3S-
MOLECULAR WEIGHT: 490.47817
SMILES: C[C@@H](C(=O)NC1=CC=CC=C1C(F)(F)F)SC2=NC(=NC3=C2C(=O)N=C(N3C4CC4)[O-])C5CC5
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Product OPENEYE NAME: (2S)-2-(1,7-dicyclopropyl-2,4-dioxo-pyrimido[4,5-d]pyrimidin-5-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide
CAS Name: (2S)-2-[(1,7-dicyclopropyl-2,4-dioxo-5-pyrimido[4,5-d]pyrimidinyl)thio]-N-[2-(trifluoromethyl)phenyl]propanamide
IUPAC NAME: (2S)-2-(1,7-dicyclopropyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide
SYSTEMATIC NAME: (2S)-2-[1,7-dicyclopropyl-2,4-bis(oxidanylidene)pyrimido[4,5-d]pyrimidin-5-yl]sulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide
MOLECULAR FORMULA: C22H20F3N5O3S
MOLECULAR WEIGHT: 491.48611
SMILES: C[C@@H](C(=O)NC1=CC=CC=C1C(F)(F)F)SC2=NC(=NC3=C2C(=O)NC(=O)N3C4CC4)C5CC5
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Product OPENEYE NAME: N-(2,5-dichlorophenyl)-3-(1,7-dicyclopropyl-2,4-dioxo-pyrimido[4,5-d]pyrimidin-5-yl)sulfanyl-propanamide
CAS Name: N-(2,5-dichlorophenyl)-3-[(1,7-dicyclopropyl-2,4-dioxo-5-pyrimido[4,5-d]pyrimidinyl)thio]propanamide
IUPAC NAME: N-(2,5-dichlorophenyl)-3-(1,7-dicyclopropyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl)sulfanylpropanamide
SYSTEMATIC NAME: N-[2,5-bis(chloranyl)phenyl]-3-[1,7-dicyclopropyl-2,4-bis(oxidanylidene)pyrimido[4,5-d]pyrimidin-5-yl]sulfanyl-propanamide
MOLECULAR FORMULA: C21H19Cl2N5O3S
MOLECULAR WEIGHT: 492.37826
SMILES: C1CC1C2=NC3=C(C(=O)NC(=O)N3C4CC4)C(=N2)SCCC(=O)NC5=C(C=CC(=C5)Cl)Cl
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Product OPENEYE NAME: [(3R)-2-oxotetrahydrofuran-3-yl] 5-methyl-1-[5-(trifluoromethyl)-2-pyridyl]pyrazole-4-carboxylate
CAS Name: 5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]-4-pyrazolecarboxylic acid [(3R)-2-oxo-3-oxolanyl] ester
IUPAC NAME: [(3R)-2-oxooxolan-3-yl] 5-methyl-1-[5-(trifluoromethyl)pyridin-2-yl]pyrazole-4-carboxylate
SYSTEMATIC NAME: [(3R)-2-oxidanylideneoxolan-3-yl] 5-methyl-1-[5-(trifluoromethyl)pyridin-2-yl]pyrazole-4-carboxylate
MOLECULAR FORMULA: C15H12F3N3O4
MOLECULAR WEIGHT: 355.26869
SMILES: CC1=C(C=NN1C2=NC=C(C=C2)C(F)(F)F)C(=O)O[C@@H]3CCOC3=O
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Product OPENEYE NAME: [(3S)-2-oxotetrahydrofuran-3-yl] 5-methyl-1-[5-(trifluoromethyl)-2-pyridyl]pyrazole-4-carboxylate
CAS Name: 5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]-4-pyrazolecarboxylic acid [(3S)-2-oxo-3-oxolanyl] ester
IUPAC NAME: [(3S)-2-oxooxolan-3-yl] 5-methyl-1-[5-(trifluoromethyl)pyridin-2-yl]pyrazole-4-carboxylate
SYSTEMATIC NAME: [(3S)-2-oxidanylideneoxolan-3-yl] 5-methyl-1-[5-(trifluoromethyl)pyridin-2-yl]pyrazole-4-carboxylate
MOLECULAR FORMULA: C15H12F3N3O4
MOLECULAR WEIGHT: 355.26869
SMILES: CC1=C(C=NN1C2=NC=C(C=C2)C(F)(F)F)C(=O)O[C@H]3CCOC3=O
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Product OPENEYE NAME: [(1R)-2-oxocyclohexyl] 5-methyl-1-[5-(trifluoromethyl)-2-pyridyl]pyrazole-4-carboxylate
CAS Name: 5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]-4-pyrazolecarboxylic acid [(1R)-2-oxocyclohexyl] ester
IUPAC NAME: [(1R)-2-oxocyclohexyl] 5-methyl-1-[5-(trifluoromethyl)pyridin-2-yl]pyrazole-4-carboxylate
SYSTEMATIC NAME: [(1R)-2-oxidanylidenecyclohexyl] 5-methyl-1-[5-(trifluoromethyl)pyridin-2-yl]pyrazole-4-carboxylate
MOLECULAR FORMULA: C17H16F3N3O3
MOLECULAR WEIGHT: 367.32245
SMILES: CC1=C(C=NN1C2=NC=C(C=C2)C(F)(F)F)C(=O)O[C@@H]3CCCCC3=O
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Product OPENEYE NAME: [(1S)-2-oxocyclohexyl] 5-methyl-1-[5-(trifluoromethyl)-2-pyridyl]pyrazole-4-carboxylate
CAS Name: 5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]-4-pyrazolecarboxylic acid [(1S)-2-oxocyclohexyl] ester
IUPAC NAME: [(1S)-2-oxocyclohexyl] 5-methyl-1-[5-(trifluoromethyl)pyridin-2-yl]pyrazole-4-carboxylate
SYSTEMATIC NAME: [(1S)-2-oxidanylidenecyclohexyl] 5-methyl-1-[5-(trifluoromethyl)pyridin-2-yl]pyrazole-4-carboxylate
MOLECULAR FORMULA: C17H16F3N3O3
MOLECULAR WEIGHT: 367.32245
SMILES: CC1=C(C=NN1C2=NC=C(C=C2)C(F)(F)F)C(=O)O[C@H]3CCCCC3=O
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Product OPENEYE NAME: [(1S)-2-[[(1R,2S,3R)-2,3-dimethylcyclohexyl]amino]-1-methyl-2-oxo-ethyl] 1-(6-ethoxypyridazin-3-yl)-5-methyl-pyrazole-4-carboxylate
CAS Name: 1-(6-ethoxy-3-pyridazinyl)-5-methyl-4-pyrazolecarboxylic acid [(2S)-1-[[(1R,2S,3R)-2,3-dimethylcyclohexyl]amino]-1-oxopropan-2-yl] ester
IUPAC NAME: [(2S)-1-[[(1R,2S,3R)-2,3-dimethylcyclohexyl]amino]-1-oxopropan-2-yl] 1-(6-ethoxypyridazin-3-yl)-5-methylpyrazole-4-carboxylate
SYSTEMATIC NAME: [(2S)-1-[[(1R,2S,3R)-2,3-dimethylcyclohexyl]amino]-1-oxidanylidene-propan-2-yl] 1-(6-ethoxypyridazin-3-yl)-5-methyl-pyrazole-4-carboxylate
MOLECULAR FORMULA: C22H31N5O4
MOLECULAR WEIGHT: 429.51264
SMILES: CCOC1=NN=C(C=C1)N2C(=C(C=N2)C(=O)O[C@@H](C)C(=O)N[C@@H]3CCC[C@H]([C@@H]3C)C)C
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Product OPENEYE NAME: [(1R)-2-[[(1R,2S,3R)-2,3-dimethylcyclohexyl]amino]-1-methyl-2-oxo-ethyl] 1-(6-ethoxypyridazin-3-yl)-5-methyl-pyrazole-4-carboxylate
CAS Name: 1-(6-ethoxy-3-pyridazinyl)-5-methyl-4-pyrazolecarboxylic acid [(2R)-1-[[(1R,2S,3R)-2,3-dimethylcyclohexyl]amino]-1-oxopropan-2-yl] ester
IUPAC NAME: [(2R)-1-[[(1R,2S,3R)-2,3-dimethylcyclohexyl]amino]-1-oxopropan-2-yl] 1-(6-ethoxypyridazin-3-yl)-5-methylpyrazole-4-carboxylate
SYSTEMATIC NAME: [(2R)-1-[[(1R,2S,3R)-2,3-dimethylcyclohexyl]amino]-1-oxidanylidene-propan-2-yl] 1-(6-ethoxypyridazin-3-yl)-5-methyl-pyrazole-4-carboxylate
MOLECULAR FORMULA: C22H31N5O4
MOLECULAR WEIGHT: 429.51264
SMILES: CCOC1=NN=C(C=C1)N2C(=C(C=N2)C(=O)O[C@H](C)C(=O)N[C@@H]3CCC[C@H]([C@@H]3C)C)C
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Product OPENEYE NAME: [(1S)-2-[[(1S,2S,3R)-2,3-dimethylcyclohexyl]amino]-1-methyl-2-oxo-ethyl] 1-(6-ethoxypyridazin-3-yl)-5-methyl-pyrazole-4-carboxylate
CAS Name: 1-(6-ethoxy-3-pyridazinyl)-5-methyl-4-pyrazolecarboxylic acid [(2S)-1-[[(1S,2S,3R)-2,3-dimethylcyclohexyl]amino]-1-oxopropan-2-yl] ester
IUPAC NAME: [(2S)-1-[[(1S,2S,3R)-2,3-dimethylcyclohexyl]amino]-1-oxopropan-2-yl] 1-(6-ethoxypyridazin-3-yl)-5-methylpyrazole-4-carboxylate
SYSTEMATIC NAME: [(2S)-1-[[(1S,2S,3R)-2,3-dimethylcyclohexyl]amino]-1-oxidanylidene-propan-2-yl] 1-(6-ethoxypyridazin-3-yl)-5-methyl-pyrazole-4-carboxylate
MOLECULAR FORMULA: C22H31N5O4
MOLECULAR WEIGHT: 429.51264
SMILES: CCOC1=NN=C(C=C1)N2C(=C(C=N2)C(=O)O[C@@H](C)C(=O)N[C@H]3CCC[C@H]([C@@H]3C)C)C
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Product OPENEYE NAME: [(1R)-2-[[(1S,2S,3R)-2,3-dimethylcyclohexyl]amino]-1-methyl-2-oxo-ethyl] 1-(6-ethoxypyridazin-3-yl)-5-methyl-pyrazole-4-carboxylate
CAS Name: 1-(6-ethoxy-3-pyridazinyl)-5-methyl-4-pyrazolecarboxylic acid [(2R)-1-[[(1S,2S,3R)-2,3-dimethylcyclohexyl]amino]-1-oxopropan-2-yl] ester
IUPAC NAME: [(2R)-1-[[(1S,2S,3R)-2,3-dimethylcyclohexyl]amino]-1-oxopropan-2-yl] 1-(6-ethoxypyridazin-3-yl)-5-methylpyrazole-4-carboxylate
SYSTEMATIC NAME: [(2R)-1-[[(1S,2S,3R)-2,3-dimethylcyclohexyl]amino]-1-oxidanylidene-propan-2-yl] 1-(6-ethoxypyridazin-3-yl)-5-methyl-pyrazole-4-carboxylate
MOLECULAR FORMULA: C22H31N5O4
MOLECULAR WEIGHT: 429.51264
SMILES: CCOC1=NN=C(C=C1)N2C(=C(C=N2)C(=O)O[C@H](C)C(=O)N[C@H]3CCC[C@H]([C@@H]3C)C)C
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Product OPENEYE NAME: (5-fluoro-2-methoxy-phenyl)methyl 1-(6-ethoxypyridazin-3-yl)-5-methyl-pyrazole-4-carboxylate
CAS Name: 1-(6-ethoxy-3-pyridazinyl)-5-methyl-4-pyrazolecarboxylic acid (5-fluoro-2-methoxyphenyl)methyl ester
IUPAC NAME: (5-fluoro-2-methoxyphenyl)methyl 1-(6-ethoxypyridazin-3-yl)-5-methylpyrazole-4-carboxylate
SYSTEMATIC NAME: (5-fluoranyl-2-methoxy-phenyl)methyl 1-(6-ethoxypyridazin-3-yl)-5-methyl-pyrazole-4-carboxylate
MOLECULAR FORMULA: C19H19FN4O4
MOLECULAR WEIGHT: 386.376963
SMILES: CCOC1=NN=C(C=C1)N2C(=C(C=N2)C(=O)OCC3=C(C=CC(=C3)F)OC)C
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Product OPENEYE NAME: [(1S)-2-(1-acetylindolin-5-yl)-1-methyl-2-oxo-ethyl] 1-(6-ethoxypyridazin-3-yl)-5-methyl-pyrazole-4-carboxylate
CAS Name: 1-(6-ethoxy-3-pyridazinyl)-5-methyl-4-pyrazolecarboxylic acid [(2S)-1-(1-acetyl-2,3-dihydroindol-5-yl)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2S)-1-(1-acetyl-2,3-dihydroindol-5-yl)-1-oxopropan-2-yl] 1-(6-ethoxypyridazin-3-yl)-5-methylpyrazole-4-carboxylate
SYSTEMATIC NAME: [(2S)-1-(1-ethanoyl-2,3-dihydroindol-5-yl)-1-oxidanylidene-propan-2-yl] 1-(6-ethoxypyridazin-3-yl)-5-methyl-pyrazole-4-carboxylate
MOLECULAR FORMULA: C24H25N5O5
MOLECULAR WEIGHT: 463.4858
SMILES: CCOC1=NN=C(C=C1)N2C(=C(C=N2)C(=O)O[C@@H](C)C(=O)C3=CC4=C(C=C3)N(CC4)C(=O)C)C
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Product OPENEYE NAME: [(1R)-2-(1-acetylindolin-5-yl)-1-methyl-2-oxo-ethyl] 1-(6-ethoxypyridazin-3-yl)-5-methyl-pyrazole-4-carboxylate
CAS Name: 1-(6-ethoxy-3-pyridazinyl)-5-methyl-4-pyrazolecarboxylic acid [(2R)-1-(1-acetyl-2,3-dihydroindol-5-yl)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2R)-1-(1-acetyl-2,3-dihydroindol-5-yl)-1-oxopropan-2-yl] 1-(6-ethoxypyridazin-3-yl)-5-methylpyrazole-4-carboxylate
SYSTEMATIC NAME: [(2R)-1-(1-ethanoyl-2,3-dihydroindol-5-yl)-1-oxidanylidene-propan-2-yl] 1-(6-ethoxypyridazin-3-yl)-5-methyl-pyrazole-4-carboxylate
MOLECULAR FORMULA: C24H25N5O5
MOLECULAR WEIGHT: 463.4858
SMILES: CCOC1=NN=C(C=C1)N2C(=C(C=N2)C(=O)O[C@H](C)C(=O)C3=CC4=C(C=C3)N(CC4)C(=O)C)C
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Product OPENEYE NAME: [(3R)-2-oxotetrahydrofuran-3-yl] (3R)-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxylate
CAS Name: (3R)-1-(4-chlorophenyl)sulfonyl-3-piperidinecarboxylic acid [(3R)-2-oxo-3-oxolanyl] ester
IUPAC NAME: [(3R)-2-oxooxolan-3-yl] (3R)-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxylate
SYSTEMATIC NAME: [(3R)-2-oxidanylideneoxolan-3-yl] (3R)-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxylate
MOLECULAR FORMULA: C16H18ClNO6S
MOLECULAR WEIGHT: 387.83522
SMILES: C1C[C@H](CN(C1)S(=O)(=O)C2=CC=C(C=C2)Cl)C(=O)O[C@@H]3CCOC3=O
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Product OPENEYE NAME: [(3R)-2-oxotetrahydrofuran-3-yl] (3S)-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxylate
CAS Name: (3S)-1-(4-chlorophenyl)sulfonyl-3-piperidinecarboxylic acid [(3R)-2-oxo-3-oxolanyl] ester
IUPAC NAME: [(3R)-2-oxooxolan-3-yl] (3S)-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxylate
SYSTEMATIC NAME: [(3R)-2-oxidanylideneoxolan-3-yl] (3S)-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxylate
MOLECULAR FORMULA: C16H18ClNO6S
MOLECULAR WEIGHT: 387.83522
SMILES: C1C[C@@H](CN(C1)S(=O)(=O)C2=CC=C(C=C2)Cl)C(=O)O[C@@H]3CCOC3=O
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Product OPENEYE NAME: (1-cyanoindolizin-2-yl)methyl (3R)-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxylate
CAS Name: (3R)-1-(4-chlorophenyl)sulfonyl-3-piperidinecarboxylic acid (1-cyano-2-indolizinyl)methyl ester
IUPAC NAME: (1-cyanoindolizin-2-yl)methyl (3R)-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxylate
SYSTEMATIC NAME: (1-cyanoindolizin-2-yl)methyl (3R)-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxylate
MOLECULAR FORMULA: C22H20ClN3O4S
MOLECULAR WEIGHT: 457.9299
SMILES: C1C[C@H](CN(C1)S(=O)(=O)C2=CC=C(C=C2)Cl)C(=O)OCC3=CN4C=CC=CC4=C3C#N
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Product OPENEYE NAME: (1-cyanoindolizin-2-yl)methyl (3S)-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxylate
CAS Name: (3S)-1-(4-chlorophenyl)sulfonyl-3-piperidinecarboxylic acid (1-cyano-2-indolizinyl)methyl ester
IUPAC NAME: (1-cyanoindolizin-2-yl)methyl (3S)-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxylate
SYSTEMATIC NAME: (1-cyanoindolizin-2-yl)methyl (3S)-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxylate
MOLECULAR FORMULA: C22H20ClN3O4S
MOLECULAR WEIGHT: 457.9299
SMILES: C1C[C@@H](CN(C1)S(=O)(=O)C2=CC=C(C=C2)Cl)C(=O)OCC3=CN4C=CC=CC4=C3C#N
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Product OPENEYE NAME: [(1S)-2-oxocyclohexyl] 5-(furan-2-carbonylamino)thiophene-2-carboxylate
CAS Name: 5-[[2-furanyl(oxo)methyl]amino]-2-thiophenecarboxylic acid [(1S)-2-oxocyclohexyl] ester
IUPAC NAME: [(1S)-2-oxocyclohexyl] 5-(furan-2-carbonylamino)thiophene-2-carboxylate
SYSTEMATIC NAME: [(1S)-2-oxidanylidenecyclohexyl] 5-(furan-2-ylcarbonylamino)thiophene-2-carboxylate
MOLECULAR FORMULA: C16H15NO5S
MOLECULAR WEIGHT: 333.359
SMILES: C1CCC(=O)[C@H](C1)OC(=O)C2=CC=C(S2)NC(=O)C3=CC=CO3
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Product OPENEYE NAME: [(1R)-2-oxocyclohexyl] 5-(furan-2-carbonylamino)thiophene-2-carboxylate
CAS Name: 5-[[2-furanyl(oxo)methyl]amino]-2-thiophenecarboxylic acid [(1R)-2-oxocyclohexyl] ester
IUPAC NAME: [(1R)-2-oxocyclohexyl] 5-(furan-2-carbonylamino)thiophene-2-carboxylate
SYSTEMATIC NAME: [(1R)-2-oxidanylidenecyclohexyl] 5-(furan-2-ylcarbonylamino)thiophene-2-carboxylate
MOLECULAR FORMULA: C16H15NO5S
MOLECULAR WEIGHT: 333.359
SMILES: C1CCC(=O)[C@@H](C1)OC(=O)C2=CC=C(S2)NC(=O)C3=CC=CO3
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