Friday, June 21, 2013

All Chemical Compounds Information




Product OPENEYE NAME: ethyl N-[(1R)-1-[[(1R)-1-(3-bromophenyl)ethyl]carbamoyl]-2-methyl-propyl]carbamate
CAS Name: N-[(2R)-1-[[(1R)-1-(3-bromophenyl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamic acid ethyl ester
IUPAC NAME: ethyl N-[(2R)-1-[[(1R)-1-(3-bromophenyl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
SYSTEMATIC NAME: ethyl N-[(2R)-1-[[(1R)-1-(3-bromophenyl)ethyl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]carbamate
MOLECULAR FORMULA: C16H23BrN2O3
MOLECULAR WEIGHT: 371.26942
SMILES: CCOC(=O)N[C@H](C(C)C)C(=O)N[C@H](C)C1=CC(=CC=C1)Br
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Product OPENEYE NAME: N-[4-(4-fluorophenoxy)butyl]-5-isopropyl-1-(2-pyridyl)pyrazole-4-carboxamide
CAS Name: N-[4-(4-fluorophenoxy)butyl]-5-propan-2-yl-1-(2-pyridinyl)-4-pyrazolecarboxamide
IUPAC NAME: N-[4-(4-fluorophenoxy)butyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide
SYSTEMATIC NAME: N-[4-(4-fluoranylphenoxy)butyl]-5-propan-2-yl-1-pyridin-2-yl-pyrazole-4-carboxamide
MOLECULAR FORMULA: C22H25FN4O2
MOLECULAR WEIGHT: 396.457903
SMILES: CC(C)C1=C(C=NN1C2=CC=CC=N2)C(=O)NCCCCOC3=CC=C(C=C3)F
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Product OPENEYE NAME: ethyl N-[(1S)-1-[(4-cyclopropylthiazol-2-yl)carbamoyl]-2-methyl-propyl]carbamate
CAS Name: N-[(2S)-1-[(4-cyclopropyl-2-thiazolyl)amino]-3-methyl-1-oxobutan-2-yl]carbamic acid ethyl ester
IUPAC NAME: ethyl N-[(2S)-1-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-3-methyl-1-oxobutan-2-yl]carbamate
SYSTEMATIC NAME: ethyl N-[(2S)-1-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-3-methyl-1-oxidanylidene-butan-2-yl]carbamate
MOLECULAR FORMULA: C14H21N3O3S
MOLECULAR WEIGHT: 311.39984
SMILES: CCOC(=O)N[C@@H](C(C)C)C(=O)NC1=NC(=CS1)C2CC2
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Product OPENEYE NAME: ethyl N-[(1R)-1-[(4-cyclopropylthiazol-2-yl)carbamoyl]-2-methyl-propyl]carbamate
CAS Name: N-[(2R)-1-[(4-cyclopropyl-2-thiazolyl)amino]-3-methyl-1-oxobutan-2-yl]carbamic acid ethyl ester
IUPAC NAME: ethyl N-[(2R)-1-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-3-methyl-1-oxobutan-2-yl]carbamate
SYSTEMATIC NAME: ethyl N-[(2R)-1-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-3-methyl-1-oxidanylidene-butan-2-yl]carbamate
MOLECULAR FORMULA: C14H21N3O3S
MOLECULAR WEIGHT: 311.39984
SMILES: CCOC(=O)N[C@H](C(C)C)C(=O)NC1=NC(=CS1)C2CC2
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Product OPENEYE NAME: ethyl N-[(1S)-2-methyl-1-[(3-methyl-2-thienyl)methylcarbamoyl]propyl]carbamate
CAS Name: N-[(2S)-3-methyl-1-[(3-methyl-2-thiophenyl)methylamino]-1-oxobutan-2-yl]carbamic acid ethyl ester
IUPAC NAME: ethyl N-[(2S)-3-methyl-1-[(3-methylthiophen-2-yl)methylamino]-1-oxobutan-2-yl]carbamate
SYSTEMATIC NAME: ethyl N-[(2S)-3-methyl-1-[(3-methylthiophen-2-yl)methylamino]-1-oxidanylidene-butan-2-yl]carbamate
MOLECULAR FORMULA: C14H22N2O3S
MOLECULAR WEIGHT: 298.40108
SMILES: CCOC(=O)N[C@@H](C(C)C)C(=O)NCC1=C(C=CS1)C
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Product OPENEYE NAME: ethyl N-[(1R)-2-methyl-1-[(3-methyl-2-thienyl)methylcarbamoyl]propyl]carbamate
CAS Name: N-[(2R)-3-methyl-1-[(3-methyl-2-thiophenyl)methylamino]-1-oxobutan-2-yl]carbamic acid ethyl ester
IUPAC NAME: ethyl N-[(2R)-3-methyl-1-[(3-methylthiophen-2-yl)methylamino]-1-oxobutan-2-yl]carbamate
SYSTEMATIC NAME: ethyl N-[(2R)-3-methyl-1-[(3-methylthiophen-2-yl)methylamino]-1-oxidanylidene-butan-2-yl]carbamate
MOLECULAR FORMULA: C14H22N2O3S
MOLECULAR WEIGHT: 298.40108
SMILES: CCOC(=O)N[C@H](C(C)C)C(=O)NCC1=C(C=CS1)C
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Product OPENEYE NAME: ethyl N-[3-[(3-methyl-2-thienyl)methylamino]-3-oxo-propyl]carbamate
CAS Name: N-[3-[(3-methyl-2-thiophenyl)methylamino]-3-oxopropyl]carbamic acid ethyl ester
IUPAC NAME: ethyl N-[3-[(3-methylthiophen-2-yl)methylamino]-3-oxopropyl]carbamate
SYSTEMATIC NAME: ethyl N-[3-[(3-methylthiophen-2-yl)methylamino]-3-oxidanylidene-propyl]carbamate
MOLECULAR FORMULA: C12H18N2O3S
MOLECULAR WEIGHT: 270.34792
SMILES: CCOC(=O)NCCC(=O)NCC1=C(C=CS1)C
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Product OPENEYE NAME: 3-methyl-N2,N5-bis[(3-methyl-2-thienyl)methyl]thieno[2,3-b]pyridine-2,5-dicarboxamide
CAS Name: 3-methyl-N2,N5-bis[(3-methyl-2-thiophenyl)methyl]thieno[2,3-b]pyridine-2,5-dicarboxamide
IUPAC NAME: 3-methyl-2-N,5-N-bis[(3-methylthiophen-2-yl)methyl]thieno[2,3-b]pyridine-2,5-dicarboxamide
SYSTEMATIC NAME: 3-methyl-N2,N5-bis[(3-methylthiophen-2-yl)methyl]thieno[2,3-b]pyridine-2,5-dicarboxamide
MOLECULAR FORMULA: C22H21N3O2S3
MOLECULAR WEIGHT: 455.61604
SMILES: CC1=C(SC=C1)CNC(=O)C2=CN=C3C(=C2)C(=C(S3)C(=O)NCC4=C(C=CS4)C)C
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Product OPENEYE NAME: (3aR,6aS)-1-(4-acetylphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-2-one
CAS Name: (3aR,6aS)-1-(4-acetylphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-2-one
IUPAC NAME: (3aR,6aS)-1-(4-acetylphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-2-one
SYSTEMATIC NAME: (3aR,6aS)-1-(4-ethanoylphenyl)-5,5-bis(oxidanylidene)-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-2-one
MOLECULAR FORMULA: C14H15NO4S
MOLECULAR WEIGHT: 293.3382
SMILES: CC(=O)C1=CC=C(C=C1)N2[C@@H]3CS(=O)(=O)C[C@@H]3CC2=O
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Product OPENEYE NAME: (3aR,6aR)-1-(4-acetylphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-2-one
CAS Name: (3aR,6aR)-1-(4-acetylphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-2-one
IUPAC NAME: (3aR,6aR)-1-(4-acetylphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-2-one
SYSTEMATIC NAME: (3aR,6aR)-1-(4-ethanoylphenyl)-5,5-bis(oxidanylidene)-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-2-one
MOLECULAR FORMULA: C14H15NO4S
MOLECULAR WEIGHT: 293.3382
SMILES: CC(=O)C1=CC=C(C=C1)N2[C@H]3CS(=O)(=O)C[C@@H]3CC2=O
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Product OPENEYE NAME: (3aS,6aS)-1-(4-acetylphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-2-one
CAS Name: (3aS,6aS)-1-(4-acetylphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-2-one
IUPAC NAME: (3aS,6aS)-1-(4-acetylphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-2-one
SYSTEMATIC NAME: (3aS,6aS)-1-(4-ethanoylphenyl)-5,5-bis(oxidanylidene)-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-2-one
MOLECULAR FORMULA: C14H15NO4S
MOLECULAR WEIGHT: 293.3382
SMILES: CC(=O)C1=CC=C(C=C1)N2[C@@H]3CS(=O)(=O)C[C@H]3CC2=O
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Product OPENEYE NAME: (3aS,6aR)-1-(4-acetylphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-2-one
CAS Name: (3aS,6aR)-1-(4-acetylphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-2-one
IUPAC NAME: (3aS,6aR)-1-(4-acetylphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-2-one
SYSTEMATIC NAME: (3aS,6aR)-1-(4-ethanoylphenyl)-5,5-bis(oxidanylidene)-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-2-one
MOLECULAR FORMULA: C14H15NO4S
MOLECULAR WEIGHT: 293.3382
SMILES: CC(=O)C1=CC=C(C=C1)N2[C@H]3CS(=O)(=O)C[C@H]3CC2=O
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Product OPENEYE NAME: ethyl 4-[(3aR,6aS)-2,5,5-trioxo-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-1-yl]benzoate
CAS Name: 4-[(3aR,6aS)-2,5,5-trioxo-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-1-yl]benzoic acid ethyl ester
IUPAC NAME: ethyl 4-[(3aR,6aS)-2,5,5-trioxo-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-1-yl]benzoate
SYSTEMATIC NAME: ethyl 4-[(3aR,6aS)-2,5,5-tris(oxidanylidene)-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-1-yl]benzoate
MOLECULAR FORMULA: C15H17NO5S
MOLECULAR WEIGHT: 323.36418
SMILES: CCOC(=O)C1=CC=C(C=C1)N2[C@@H]3CS(=O)(=O)C[C@@H]3CC2=O
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Product OPENEYE NAME: ethyl 4-[(3aR,6aR)-2,5,5-trioxo-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-1-yl]benzoate
CAS Name: 4-[(3aR,6aR)-2,5,5-trioxo-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-1-yl]benzoic acid ethyl ester
IUPAC NAME: ethyl 4-[(3aR,6aR)-2,5,5-trioxo-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-1-yl]benzoate
SYSTEMATIC NAME: ethyl 4-[(3aR,6aR)-2,5,5-tris(oxidanylidene)-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-1-yl]benzoate
MOLECULAR FORMULA: C15H17NO5S
MOLECULAR WEIGHT: 323.36418
SMILES: CCOC(=O)C1=CC=C(C=C1)N2[C@H]3CS(=O)(=O)C[C@@H]3CC2=O
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