Saturday, March 2, 2013

All Chemical Compounds Information




Product OPENEYE NAME: [(1R)-2-(1-adamantylamino)-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-(1-adamantylamino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate
SYSTEMATIC NAME: [(2R)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] 1-(furan-2-ylmethyl)-2,5-dimethyl-pyrrole-3-carboxylate
MOLECULAR FORMULA: C25H32N2O4
MOLECULAR WEIGHT: 424.53258
SMILES: CC1=CC(=C(N1CC2=CC=CO2)C)C(=O)O[C@H](C)C(=O)NC34CC5CC(C3)CC(C5)C4
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Product OPENEYE NAME: [(1S)-2-(3-methoxyanilino)-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-(3-methoxyanilino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2S)-1-(3-methoxyanilino)-1-oxopropan-2-yl] 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate
SYSTEMATIC NAME: [(2S)-1-[(3-methoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] 1-(furan-2-ylmethyl)-2,5-dimethyl-pyrrole-3-carboxylate
MOLECULAR FORMULA: C22H24N2O5
MOLECULAR WEIGHT: 396.43636
SMILES: CC1=CC(=C(N1CC2=CC=CO2)C)C(=O)O[C@@H](C)C(=O)NC3=CC(=CC=C3)OC
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Product OPENEYE NAME: [(1R)-2-[(3-cyano-2-thienyl)amino]-1-methyl-2-oxo-ethyl] 5-nitrobenzothiophene-2-carboxylate
CAS Name: 5-nitro-1-benzothiophene-2-carboxylic acid [(2R)-1-[(3-cyano-2-thiophenyl)amino]-1-oxopropan-2-yl] ester
IUPAC NAME: [(2R)-1-[(3-cyanothiophen-2-yl)amino]-1-oxopropan-2-yl] 5-nitro-1-benzothiophene-2-carboxylate
SYSTEMATIC NAME: [(2R)-1-[(3-cyanothiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl] 5-nitro-1-benzothiophene-2-carboxylate
MOLECULAR FORMULA: C17H11N3O5S2
MOLECULAR WEIGHT: 401.41634
SMILES: C[C@H](C(=O)NC1=C(C=CS1)C#N)OC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-]
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Product OPENEYE NAME: [2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl] 2-[(2-methylthiazol-4-yl)methoxy]benzoate
CAS Name: 2-[(2-methyl-4-thiazolyl)methoxy]benzoic acid [2-(1-ethyl-2,5-dimethyl-3-pyrrolyl)-2-oxoethyl] ester
IUPAC NAME: [2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
SYSTEMATIC NAME: [2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
MOLECULAR FORMULA: C22H24N2O4S
MOLECULAR WEIGHT: 412.50196
SMILES: CCN1C(=CC(=C1C)C(=O)COC(=O)C2=CC=CC=C2OCC3=CSC(=N3)C)C
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Product OPENEYE NAME: [(1R)-2-(3-methoxyanilino)-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-(3-methoxyanilino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2R)-1-(3-methoxyanilino)-1-oxopropan-2-yl] 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate
SYSTEMATIC NAME: [(2R)-1-[(3-methoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] 1-(furan-2-ylmethyl)-2,5-dimethyl-pyrrole-3-carboxylate
MOLECULAR FORMULA: C22H24N2O5
MOLECULAR WEIGHT: 396.43636
SMILES: CC1=CC(=C(N1CC2=CC=CO2)C)C(=O)O[C@H](C)C(=O)NC3=CC(=CC=C3)OC
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Product OPENEYE NAME: [(1S)-2-(indan-5-ylamino)-1-methyl-2-oxo-ethyl] 5-nitrobenzothiophene-2-carboxylate
CAS Name: 5-nitro-1-benzothiophene-2-carboxylic acid [(2S)-1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2S)-1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxopropan-2-yl] 5-nitro-1-benzothiophene-2-carboxylate
SYSTEMATIC NAME: [(2S)-1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxidanylidene-propan-2-yl] 5-nitro-1-benzothiophene-2-carboxylate
MOLECULAR FORMULA: C21H18N2O5S
MOLECULAR WEIGHT: 410.44302
SMILES: C[C@@H](C(=O)NC1=CC2=C(CCC2)C=C1)OC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]
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Product OPENEYE NAME: [(1S)-2-(4-fluorophenyl)-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-fluorophenyl)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2S)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
SYSTEMATIC NAME: [(2S)-1-(4-fluorophenyl)-1-oxidanylidene-propan-2-yl] 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
MOLECULAR FORMULA: C21H18FNO4S
MOLECULAR WEIGHT: 399.435323
SMILES: CC1=NC(=CS1)COC2=CC=CC=C2C(=O)O[C@@H](C)C(=O)C3=CC=C(C=C3)F
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Product OPENEYE NAME: [(1S)-2-(2-cyanoanilino)-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-(2-cyanoanilino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2S)-1-(2-cyanoanilino)-1-oxopropan-2-yl] 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate
SYSTEMATIC NAME: [(2S)-1-[(2-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 1-(furan-2-ylmethyl)-2,5-dimethyl-pyrrole-3-carboxylate
MOLECULAR FORMULA: C22H21N3O4
MOLECULAR WEIGHT: 391.41984
SMILES: CC1=CC(=C(N1CC2=CC=CO2)C)C(=O)O[C@@H](C)C(=O)NC3=CC=CC=C3C#N
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Product OPENEYE NAME: [(1R)-2-(indan-5-ylamino)-1-methyl-2-oxo-ethyl] 5-nitrobenzothiophene-2-carboxylate
CAS Name: 5-nitro-1-benzothiophene-2-carboxylic acid [(2R)-1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2R)-1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxopropan-2-yl] 5-nitro-1-benzothiophene-2-carboxylate
SYSTEMATIC NAME: [(2R)-1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxidanylidene-propan-2-yl] 5-nitro-1-benzothiophene-2-carboxylate
MOLECULAR FORMULA: C21H18N2O5S
MOLECULAR WEIGHT: 410.44302
SMILES: C[C@H](C(=O)NC1=CC2=C(CCC2)C=C1)OC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]
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Product OPENEYE NAME: [(1R)-2-(4-fluorophenyl)-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-fluorophenyl)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
SYSTEMATIC NAME: [(2R)-1-(4-fluorophenyl)-1-oxidanylidene-propan-2-yl] 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
MOLECULAR FORMULA: C21H18FNO4S
MOLECULAR WEIGHT: 399.435323
SMILES: CC1=NC(=CS1)COC2=CC=CC=C2C(=O)O[C@H](C)C(=O)C3=CC=C(C=C3)F
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Product OPENEYE NAME: [(1R)-2-(2-cyanoanilino)-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-(2-cyanoanilino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2R)-1-(2-cyanoanilino)-1-oxopropan-2-yl] 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate
SYSTEMATIC NAME: [(2R)-1-[(2-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 1-(furan-2-ylmethyl)-2,5-dimethyl-pyrrole-3-carboxylate
MOLECULAR FORMULA: C22H21N3O4
MOLECULAR WEIGHT: 391.41984
SMILES: CC1=CC(=C(N1CC2=CC=CO2)C)C(=O)O[C@H](C)C(=O)NC3=CC=CC=C3C#N
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Product OPENEYE NAME: [2-[(1-cyanocyclohexyl)amino]-2-oxo-ethyl] 2-[(2-methylthiazol-4-yl)methoxy]benzoate
CAS Name: 2-[(2-methyl-4-thiazolyl)methoxy]benzoic acid [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] ester
IUPAC NAME: [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
SYSTEMATIC NAME: [2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
MOLECULAR FORMULA: C21H23N3O4S
MOLECULAR WEIGHT: 413.49002
SMILES: CC1=NC(=CS1)COC2=CC=CC=C2C(=O)OCC(=O)NC3(CCCCC3)C#N
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Product OPENEYE NAME: [(1S)-1-methyl-2-oxo-2-(2-thienylmethylamino)ethyl] 5-nitrobenzothiophene-2-carboxylate
CAS Name: 5-nitro-1-benzothiophene-2-carboxylic acid [(2S)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] ester
IUPAC NAME: [(2S)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 5-nitro-1-benzothiophene-2-carboxylate
SYSTEMATIC NAME: [(2S)-1-oxidanylidene-1-(thiophen-2-ylmethylamino)propan-2-yl] 5-nitro-1-benzothiophene-2-carboxylate
MOLECULAR FORMULA: C17H14N2O5S2
MOLECULAR WEIGHT: 390.43346
SMILES: C[C@@H](C(=O)NCC1=CC=CS1)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-(2-thienylmethylamino)ethyl] 5-nitrobenzothiophene-2-carboxylate
CAS Name: 5-nitro-1-benzothiophene-2-carboxylic acid [(2R)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] ester
IUPAC NAME: [(2R)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 5-nitro-1-benzothiophene-2-carboxylate
SYSTEMATIC NAME: [(2R)-1-oxidanylidene-1-(thiophen-2-ylmethylamino)propan-2-yl] 5-nitro-1-benzothiophene-2-carboxylate
MOLECULAR FORMULA: C17H14N2O5S2
MOLECULAR WEIGHT: 390.43346
SMILES: C[C@H](C(=O)NCC1=CC=CS1)OC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-]
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Product OPENEYE NAME: [2-oxo-2-(propylcarbamoylamino)ethyl] 1-(2-furylmethyl)-2,5-dimethyl-pyrrole-3-carboxylate
CAS Name: 1-(2-furanylmethyl)-2,5-dimethyl-3-pyrrolecarboxylic acid [2-oxo-2-[[oxo(propylamino)methyl]amino]ethyl] ester
IUPAC NAME: [2-oxo-2-(propylcarbamoylamino)ethyl] 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate
SYSTEMATIC NAME: [2-oxidanylidene-2-(propylcarbamoylamino)ethyl] 1-(furan-2-ylmethyl)-2,5-dimethyl-pyrrole-3-carboxylate
MOLECULAR FORMULA: C18H23N3O5
MOLECULAR WEIGHT: 361.39232
SMILES: CCCNC(=O)NC(=O)COC(=O)C1=C(N(C(=C1)C)CC2=CC=CO2)C
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Product OPENEYE NAME: [(1R)-1-methyl-2-[(5-methylisoxazol-3-yl)amino]-2-oxo-ethyl] 5-nitrobenzothiophene-2-carboxylate
CAS Name: 5-nitro-1-benzothiophene-2-carboxylic acid [(2R)-1-[(5-methyl-3-isoxazolyl)amino]-1-oxopropan-2-yl] ester
IUPAC NAME: [(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 5-nitro-1-benzothiophene-2-carboxylate
SYSTEMATIC NAME: [(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxidanylidene-propan-2-yl] 5-nitro-1-benzothiophene-2-carboxylate
MOLECULAR FORMULA: C16H13N3O6S
MOLECULAR WEIGHT: 375.35592
SMILES: CC1=CC(=NO1)NC(=O)[C@@H](C)OC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-]
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Product OPENEYE NAME: (4,5-dimethoxy-2-methyl-phenyl)methyl 2-[(2-methylthiazol-4-yl)methoxy]benzoate
CAS Name: 2-[(2-methyl-4-thiazolyl)methoxy]benzoic acid (4,5-dimethoxy-2-methylphenyl)methyl ester
IUPAC NAME: (4,5-dimethoxy-2-methylphenyl)methyl 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
SYSTEMATIC NAME: (4,5-dimethoxy-2-methyl-phenyl)methyl 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
MOLECULAR FORMULA: C22H23NO5S
MOLECULAR WEIGHT: 413.48672
SMILES: CC1=CC(=C(C=C1COC(=O)C2=CC=CC=C2OCC3=CSC(=N3)C)OC)OC
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Product OPENEYE NAME: [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-[(2-methylthiazol-4-yl)methoxy]benzoate
CAS Name: 2-[(2-methyl-4-thiazolyl)methoxy]benzoic acid [2-oxo-2-(2-oxo-1-imidazolidinyl)ethyl] ester
IUPAC NAME: [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
SYSTEMATIC NAME: [2-oxidanylidene-2-(2-oxidanylideneimidazolidin-1-yl)ethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
MOLECULAR FORMULA: C17H17N3O5S
MOLECULAR WEIGHT: 375.39898
SMILES: CC1=NC(=CS1)COC2=CC=CC=C2C(=O)OCC(=O)N3CCNC3=O
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