Saturday, March 2, 2013

All Chemical Compounds Information



Product OPENEYE NAME: [(1R)-2-[2-cyanoethyl(methyl)amino]-1-methyl-2-oxo-ethyl] 5-nitrobenzothiophene-2-carboxylate
CAS Name: 5-nitro-1-benzothiophene-2-carboxylic acid [(2R)-1-[2-cyanoethyl(methyl)amino]-1-oxopropan-2-yl] ester
IUPAC NAME: [(2R)-1-[2-cyanoethyl(methyl)amino]-1-oxopropan-2-yl] 5-nitro-1-benzothiophene-2-carboxylate
SYSTEMATIC NAME: [(2R)-1-[2-cyanoethyl(methyl)amino]-1-oxidanylidene-propan-2-yl] 5-nitro-1-benzothiophene-2-carboxylate
MOLECULAR FORMULA: C16H15N3O5S
MOLECULAR WEIGHT: 361.3724
SMILES: C[C@H](C(=O)N(C)CCC#N)OC(=O)C1=CC2=C(S1)C=CC(=C2)[N+](=O)[O-]
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Product OPENEYE NAME: [3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl 2-[(2-methylthiazol-4-yl)methoxy]benzoate
CAS Name: 2-[(2-methyl-4-thiazolyl)methoxy]benzoic acid (3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl ester
IUPAC NAME: (3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
SYSTEMATIC NAME: (3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
MOLECULAR FORMULA: C19H15N3O4S2
MOLECULAR WEIGHT: 413.4701
SMILES: CC1=NC(=CS1)COC2=CC=CC=C2C(=O)OCC3=NC(=NO3)C4=CC=CS4
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Product OPENEYE NAME: [(1R)-2-(cyclopropylamino)-1-methyl-2-oxo-ethyl] 1-(2-furylmethyl)-2,5-dimethyl-pyrrole-3-carboxylate
CAS Name: 1-(2-furanylmethyl)-2,5-dimethyl-3-pyrrolecarboxylic acid [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate
SYSTEMATIC NAME: [(2R)-1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl] 1-(furan-2-ylmethyl)-2,5-dimethyl-pyrrole-3-carboxylate
MOLECULAR FORMULA: C18H22N2O4
MOLECULAR WEIGHT: 330.37828
SMILES: CC1=CC(=C(N1CC2=CC=CO2)C)C(=O)O[C@H](C)C(=O)NC3CC3
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Product OPENEYE NAME: [(1S)-2-(tert-butylcarbamoylamino)-1-methyl-2-oxo-ethyl] 5-nitrobenzothiophene-2-carboxylate
CAS Name: 5-nitro-1-benzothiophene-2-carboxylic acid [(2S)-1-[[(tert-butylamino)-oxomethyl]amino]-1-oxopropan-2-yl] ester
IUPAC NAME: [(2S)-1-(tert-butylcarbamoylamino)-1-oxopropan-2-yl] 5-nitro-1-benzothiophene-2-carboxylate
SYSTEMATIC NAME: [(2S)-1-(tert-butylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 5-nitro-1-benzothiophene-2-carboxylate
MOLECULAR FORMULA: C17H19N3O6S
MOLECULAR WEIGHT: 393.41426
SMILES: C[C@@H](C(=O)NC(=O)NC(C)(C)C)OC(=O)C1=CC2=C(S1)C=CC(=C2)[N+](=O)[O-]
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Product OPENEYE NAME: [2-(cyclopropylcarbamoylamino)-2-oxo-ethyl] 2-[(2-methylthiazol-4-yl)methoxy]benzoate
CAS Name: 2-[(2-methyl-4-thiazolyl)methoxy]benzoic acid [2-[[(cyclopropylamino)-oxomethyl]amino]-2-oxoethyl] ester
IUPAC NAME: [2-(cyclopropylcarbamoylamino)-2-oxoethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
SYSTEMATIC NAME: [2-(cyclopropylcarbamoylamino)-2-oxidanylidene-ethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
MOLECULAR FORMULA: C18H19N3O5S
MOLECULAR WEIGHT: 389.42556
SMILES: CC1=NC(=CS1)COC2=CC=CC=C2C(=O)OCC(=O)NC(=O)NC3CC3
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Product OPENEYE NAME: [(1S)-2-(4-fluoroanilino)-1-methyl-2-oxo-ethyl] 1-(2-furylmethyl)-2,5-dimethyl-pyrrole-3-carboxylate
CAS Name: 1-(2-furanylmethyl)-2,5-dimethyl-3-pyrrolecarboxylic acid [(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate
SYSTEMATIC NAME: [(2S)-1-[(4-fluorophenyl)amino]-1-oxidanylidene-propan-2-yl] 1-(furan-2-ylmethyl)-2,5-dimethyl-pyrrole-3-carboxylate
MOLECULAR FORMULA: C21H21FN2O4
MOLECULAR WEIGHT: 384.400843
SMILES: CC1=CC(=C(N1CC2=CC=CO2)C)C(=O)O[C@@H](C)C(=O)NC3=CC=C(C=C3)F
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Product OPENEYE NAME: [(1R)-2-(tert-butylcarbamoylamino)-1-methyl-2-oxo-ethyl] 5-nitrobenzothiophene-2-carboxylate
CAS Name: 5-nitro-1-benzothiophene-2-carboxylic acid [(2R)-1-[[(tert-butylamino)-oxomethyl]amino]-1-oxopropan-2-yl] ester
IUPAC NAME: [(2R)-1-(tert-butylcarbamoylamino)-1-oxopropan-2-yl] 5-nitro-1-benzothiophene-2-carboxylate
SYSTEMATIC NAME: [(2R)-1-(tert-butylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 5-nitro-1-benzothiophene-2-carboxylate
MOLECULAR FORMULA: C17H19N3O6S
MOLECULAR WEIGHT: 393.41426
SMILES: C[C@H](C(=O)NC(=O)NC(C)(C)C)OC(=O)C1=CC2=C(S1)C=CC(=C2)[N+](=O)[O-]
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Product OPENEYE NAME: [(1S)-1-phenylethyl] 2-[(2-methylthiazol-4-yl)methoxy]benzoate
CAS Name: 2-[(2-methyl-4-thiazolyl)methoxy]benzoic acid [(1S)-1-phenylethyl] ester
IUPAC NAME: [(1S)-1-phenylethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
SYSTEMATIC NAME: [(1S)-1-phenylethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
MOLECULAR FORMULA: C20H19NO3S
MOLECULAR WEIGHT: 353.43476
SMILES: CC1=NC(=CS1)COC2=CC=CC=C2C(=O)O[C@@H](C)C3=CC=CC=C3
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Product OPENEYE NAME: [(1R)-2-(4-fluoroanilino)-1-methyl-2-oxo-ethyl] 1-(2-furylmethyl)-2,5-dimethyl-pyrrole-3-carboxylate
CAS Name: 1-(2-furanylmethyl)-2,5-dimethyl-3-pyrrolecarboxylic acid [(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate
SYSTEMATIC NAME: [(2R)-1-[(4-fluorophenyl)amino]-1-oxidanylidene-propan-2-yl] 1-(furan-2-ylmethyl)-2,5-dimethyl-pyrrole-3-carboxylate
MOLECULAR FORMULA: C21H21FN2O4
MOLECULAR WEIGHT: 384.400843
SMILES: CC1=CC(=C(N1CC2=CC=CO2)C)C(=O)O[C@H](C)C(=O)NC3=CC=C(C=C3)F
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