Friday, March 1, 2013

All Chemical Compounds Information




Product OPENEYE NAME: [(1S)-1-allophanoyl-2-methyl-propyl] 2-[(2-methylthiazol-4-yl)methoxy]benzoate
CAS Name: 2-[(2-methyl-4-thiazolyl)methoxy]benzoic acid [(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] ester
IUPAC NAME: [(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
SYSTEMATIC NAME: [(2S)-1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
MOLECULAR FORMULA: C18H21N3O5S
MOLECULAR WEIGHT: 391.44144
SMILES: CC1=NC(=CS1)COC2=CC=CC=C2C(=O)O[C@@H](C(C)C)C(=O)NC(=O)N
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Product OPENEYE NAME: [2-(2,4-dimethoxyphenyl)-2-oxo-ethyl] 1-(2-furylmethyl)-2,5-dimethyl-pyrrole-3-carboxylate
CAS Name: 1-(2-furanylmethyl)-2,5-dimethyl-3-pyrrolecarboxylic acid [2-(2,4-dimethoxyphenyl)-2-oxoethyl] ester
IUPAC NAME: [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate
SYSTEMATIC NAME: [2-(2,4-dimethoxyphenyl)-2-oxidanylidene-ethyl] 1-(furan-2-ylmethyl)-2,5-dimethyl-pyrrole-3-carboxylate
MOLECULAR FORMULA: C22H23NO6
MOLECULAR WEIGHT: 397.42112
SMILES: CC1=CC(=C(N1CC2=CC=CO2)C)C(=O)OCC(=O)C3=C(C=C(C=C3)OC)OC
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Product OPENEYE NAME: [(1R)-1-allophanoyl-2-methyl-propyl] 2-[(2-methylthiazol-4-yl)methoxy]benzoate
CAS Name: 2-[(2-methyl-4-thiazolyl)methoxy]benzoic acid [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] ester
IUPAC NAME: [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
SYSTEMATIC NAME: [(2R)-1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
MOLECULAR FORMULA: C18H21N3O5S
MOLECULAR WEIGHT: 391.44144
SMILES: CC1=NC(=CS1)COC2=CC=CC=C2C(=O)O[C@H](C(C)C)C(=O)NC(=O)N
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Product OPENEYE NAME: [(1S)-2-(2,4-difluoroanilino)-1-methyl-2-oxo-ethyl] 5-nitrobenzothiophene-2-carboxylate
CAS Name: 5-nitro-1-benzothiophene-2-carboxylic acid [(2S)-1-(2,4-difluoroanilino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2S)-1-(2,4-difluoroanilino)-1-oxopropan-2-yl] 5-nitro-1-benzothiophene-2-carboxylate
SYSTEMATIC NAME: [(2S)-1-[[2,4-bis(fluoranyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] 5-nitro-1-benzothiophene-2-carboxylate
MOLECULAR FORMULA: C18H12F2N2O5S
MOLECULAR WEIGHT: 406.360086
SMILES: C[C@@H](C(=O)NC1=C(C=C(C=C1)F)F)OC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-]
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Product OPENEYE NAME: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl 1-(2-furylmethyl)-2,5-dimethyl-pyrrole-3-carboxylate
CAS Name: 1-(2-furanylmethyl)-2,5-dimethyl-3-pyrrolecarboxylic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester
IUPAC NAME: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate
SYSTEMATIC NAME: (6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl 1-(furan-2-ylmethyl)-2,5-dimethyl-pyrrole-3-carboxylate
MOLECULAR FORMULA: C21H20ClNO5
MOLECULAR WEIGHT: 401.8402
SMILES: CC1=CC(=C(N1CC2=CC=CO2)C)C(=O)OCC3=C4C(=CC(=C3)Cl)COCO4
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Product OPENEYE NAME: [(1S)-2-(4-methoxyphenyl)-1-methyl-2-oxo-ethyl] 2-[(2-methylthiazol-4-yl)methoxy]benzoate
CAS Name: 2-[(2-methyl-4-thiazolyl)methoxy]benzoic acid [(2S)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2S)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
SYSTEMATIC NAME: [(2S)-1-(4-methoxyphenyl)-1-oxidanylidene-propan-2-yl] 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
MOLECULAR FORMULA: C22H21NO5S
MOLECULAR WEIGHT: 411.47084
SMILES: CC1=NC(=CS1)COC2=CC=CC=C2C(=O)O[C@@H](C)C(=O)C3=CC=C(C=C3)OC
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Product OPENEYE NAME: [(1R)-2-(2,4-difluoroanilino)-1-methyl-2-oxo-ethyl] 5-nitrobenzothiophene-2-carboxylate
CAS Name: 5-nitro-1-benzothiophene-2-carboxylic acid [(2R)-1-(2,4-difluoroanilino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2R)-1-(2,4-difluoroanilino)-1-oxopropan-2-yl] 5-nitro-1-benzothiophene-2-carboxylate
SYSTEMATIC NAME: [(2R)-1-[[2,4-bis(fluoranyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] 5-nitro-1-benzothiophene-2-carboxylate
MOLECULAR FORMULA: C18H12F2N2O5S
MOLECULAR WEIGHT: 406.360086
SMILES: C[C@H](C(=O)NC1=C(C=C(C=C1)F)F)OC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-]
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Product OPENEYE NAME: [(1R)-2-(4-methoxyphenyl)-1-methyl-2-oxo-ethyl] 2-[(2-methylthiazol-4-yl)methoxy]benzoate
CAS Name: 2-[(2-methyl-4-thiazolyl)methoxy]benzoic acid [(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
SYSTEMATIC NAME: [(2R)-1-(4-methoxyphenyl)-1-oxidanylidene-propan-2-yl] 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
MOLECULAR FORMULA: C22H21NO5S
MOLECULAR WEIGHT: 411.47084
SMILES: CC1=NC(=CS1)COC2=CC=CC=C2C(=O)O[C@H](C)C(=O)C3=CC=C(C=C3)OC
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Product OPENEYE NAME: [(1S)-2-(2,5-difluoroanilino)-1-methyl-2-oxo-ethyl] 5-nitrobenzothiophene-2-carboxylate
CAS Name: 5-nitro-1-benzothiophene-2-carboxylic acid [(2S)-1-(2,5-difluoroanilino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2S)-1-(2,5-difluoroanilino)-1-oxopropan-2-yl] 5-nitro-1-benzothiophene-2-carboxylate
SYSTEMATIC NAME: [(2S)-1-[[2,5-bis(fluoranyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] 5-nitro-1-benzothiophene-2-carboxylate
MOLECULAR FORMULA: C18H12F2N2O5S
MOLECULAR WEIGHT: 406.360086
SMILES: C[C@@H](C(=O)NC1=C(C=CC(=C1)F)F)OC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-]
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Product OPENEYE NAME: [(1R)-2-(2,5-difluoroanilino)-1-methyl-2-oxo-ethyl] 5-nitrobenzothiophene-2-carboxylate
CAS Name: 5-nitro-1-benzothiophene-2-carboxylic acid [(2R)-1-(2,5-difluoroanilino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2R)-1-(2,5-difluoroanilino)-1-oxopropan-2-yl] 5-nitro-1-benzothiophene-2-carboxylate
SYSTEMATIC NAME: [(2R)-1-[[2,5-bis(fluoranyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] 5-nitro-1-benzothiophene-2-carboxylate
MOLECULAR FORMULA: C18H12F2N2O5S
MOLECULAR WEIGHT: 406.360086
SMILES: C[C@H](C(=O)NC1=C(C=CC(=C1)F)F)OC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-]
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Product OPENEYE NAME: [(1S)-2-(3,4-difluoroanilino)-1-methyl-2-oxo-ethyl] 5-nitrobenzothiophene-2-carboxylate
CAS Name: 5-nitro-1-benzothiophene-2-carboxylic acid [(2S)-1-(3,4-difluoroanilino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2S)-1-(3,4-difluoroanilino)-1-oxopropan-2-yl] 5-nitro-1-benzothiophene-2-carboxylate
SYSTEMATIC NAME: [(2S)-1-[[3,4-bis(fluoranyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] 5-nitro-1-benzothiophene-2-carboxylate
MOLECULAR FORMULA: C18H12F2N2O5S
MOLECULAR WEIGHT: 406.360086
SMILES: C[C@@H](C(=O)NC1=CC(=C(C=C1)F)F)OC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-]
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Product OPENEYE NAME: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 1-(2-furylmethyl)-2,5-dimethyl-pyrrole-3-carboxylate
CAS Name: 1-(2-furanylmethyl)-2,5-dimethyl-3-pyrrolecarboxylic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester
IUPAC NAME: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate
SYSTEMATIC NAME: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 1-(furan-2-ylmethyl)-2,5-dimethyl-pyrrole-3-carboxylate
MOLECULAR FORMULA: C21H20N2O7
MOLECULAR WEIGHT: 412.3927
SMILES: CC1=CC(=C(N1CC2=CC=CO2)C)C(=O)OCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4
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Product OPENEYE NAME: [(1R)-2-(3,4-difluoroanilino)-1-methyl-2-oxo-ethyl] 5-nitrobenzothiophene-2-carboxylate
CAS Name: 5-nitro-1-benzothiophene-2-carboxylic acid [(2R)-1-(3,4-difluoroanilino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2R)-1-(3,4-difluoroanilino)-1-oxopropan-2-yl] 5-nitro-1-benzothiophene-2-carboxylate
SYSTEMATIC NAME: [(2R)-1-[[3,4-bis(fluoranyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] 5-nitro-1-benzothiophene-2-carboxylate
MOLECULAR FORMULA: C18H12F2N2O5S
MOLECULAR WEIGHT: 406.360086
SMILES: C[C@H](C(=O)NC1=CC(=C(C=C1)F)F)OC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-]
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Product OPENEYE NAME: [(1R)-1-methyl-2-oxo-2-(propylamino)ethyl] 5-nitrobenzothiophene-2-carboxylate
CAS Name: 5-nitro-1-benzothiophene-2-carboxylic acid [(2R)-1-oxo-1-(propylamino)propan-2-yl] ester
IUPAC NAME: [(2R)-1-oxo-1-(propylamino)propan-2-yl] 5-nitro-1-benzothiophene-2-carboxylate
SYSTEMATIC NAME: [(2R)-1-oxidanylidene-1-(propylamino)propan-2-yl] 5-nitro-1-benzothiophene-2-carboxylate
MOLECULAR FORMULA: C15H16N2O5S
MOLECULAR WEIGHT: 336.36294
SMILES: CCCNC(=O)[C@@H](C)OC(=O)C1=CC2=C(S1)C=CC(=C2)[N+](=O)[O-]
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Product OPENEYE NAME: [2-[[(1R)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxo-ethyl] 2-[(2-methylthiazol-4-yl)methoxy]benzoate
CAS Name: 2-[(2-methyl-4-thiazolyl)methoxy]benzoic acid [2-[[(1R)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl] ester
IUPAC NAME: [2-[[(1R)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
SYSTEMATIC NAME: [2-[[(1R)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxidanylidene-ethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
MOLECULAR FORMULA: C20H21N3O4S
MOLECULAR WEIGHT: 399.46344
SMILES: CC1=NC(=CS1)COC2=CC=CC=C2C(=O)OCC(=O)N[C@@](C)(C#N)C3CC3
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