Friday, March 1, 2013

All Chemical Compounds Information




Product OPENEYE NAME: [2-(ethoxycarbonylamino)-2-oxo-ethyl] 1-(2-furylmethyl)-2,5-dimethyl-pyrrole-3-carboxylate
CAS Name: 1-(2-furanylmethyl)-2,5-dimethyl-3-pyrrolecarboxylic acid [2-(ethoxycarbonylamino)-2-oxoethyl] ester
IUPAC NAME: [2-(ethoxycarbonylamino)-2-oxoethyl] 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate
SYSTEMATIC NAME: [2-(ethoxycarbonylamino)-2-oxidanylidene-ethyl] 1-(furan-2-ylmethyl)-2,5-dimethyl-pyrrole-3-carboxylate
MOLECULAR FORMULA: C17H20N2O6
MOLECULAR WEIGHT: 348.3505
SMILES: CCOC(=O)NC(=O)COC(=O)C1=C(N(C(=C1)C)CC2=CC=CO2)C
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Product OPENEYE NAME: [2-(2,5-dimethylphenyl)-2-oxo-ethyl] 2-[(2-methylthiazol-4-yl)methoxy]benzoate
CAS Name: 2-[(2-methyl-4-thiazolyl)methoxy]benzoic acid [2-(2,5-dimethylphenyl)-2-oxoethyl] ester
IUPAC NAME: [2-(2,5-dimethylphenyl)-2-oxoethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
SYSTEMATIC NAME: [2-(2,5-dimethylphenyl)-2-oxidanylidene-ethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
MOLECULAR FORMULA: C22H21NO4S
MOLECULAR WEIGHT: 395.47144
SMILES: CC1=CC(=C(C=C1)C)C(=O)COC(=O)C2=CC=CC=C2OCC3=CSC(=N3)C
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Product OPENEYE NAME: [(1R)-2-(allylamino)-1-methyl-2-oxo-ethyl] 5-nitrobenzothiophene-2-carboxylate
CAS Name: 5-nitro-1-benzothiophene-2-carboxylic acid [(2R)-1-oxo-1-(prop-2-enylamino)propan-2-yl] ester
IUPAC NAME: [(2R)-1-oxo-1-(prop-2-enylamino)propan-2-yl] 5-nitro-1-benzothiophene-2-carboxylate
SYSTEMATIC NAME: [(2R)-1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl] 5-nitro-1-benzothiophene-2-carboxylate
MOLECULAR FORMULA: C15H14N2O5S
MOLECULAR WEIGHT: 334.34706
SMILES: C[C@H](C(=O)NCC=C)OC(=O)C1=CC2=C(S1)C=CC(=C2)[N+](=O)[O-]
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Product OPENEYE NAME: [2-(isopropylcarbamoylamino)-2-oxo-ethyl] 2-[(2-methylthiazol-4-yl)methoxy]benzoate
CAS Name: 2-[(2-methyl-4-thiazolyl)methoxy]benzoic acid [2-oxo-2-[[oxo-(propan-2-ylamino)methyl]amino]ethyl] ester
IUPAC NAME: [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
SYSTEMATIC NAME: [2-oxidanylidene-2-(propan-2-ylcarbamoylamino)ethyl] 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)OCC(=O)NC(=O)NC(C)C
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Product OPENEYE NAME: [(1S)-2-(1,3-benzodioxol-5-ylamino)-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-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2S)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate
SYSTEMATIC NAME: [(2S)-1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl] 1-(furan-2-ylmethyl)-2,5-dimethyl-pyrrole-3-carboxylate
MOLECULAR FORMULA: C22H22N2O6
MOLECULAR WEIGHT: 410.41988
SMILES: CC1=CC(=C(N1CC2=CC=CO2)C)C(=O)O[C@@H](C)C(=O)NC3=CC4=C(C=C3)OCO4
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Product OPENEYE NAME: [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-[(2-methylthiazol-4-yl)methoxy]benzoate
CAS Name: 2-[(2-methyl-4-thiazolyl)methoxy]benzoic acid [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] ester
IUPAC NAME: [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
SYSTEMATIC NAME: [2-oxidanylidene-2-[2,2,2-tris(fluoranyl)ethylamino]ethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
MOLECULAR FORMULA: C16H15F3N2O4S
MOLECULAR WEIGHT: 388.36151
SMILES: CC1=NC(=CS1)COC2=CC=CC=C2C(=O)OCC(=O)NCC(F)(F)F
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Product OPENEYE NAME: [2-(isobutylcarbamoylamino)-2-oxo-ethyl] 2-[(2-methylthiazol-4-yl)methoxy]benzoate
CAS Name: 2-[(2-methyl-4-thiazolyl)methoxy]benzoic acid [2-[[(2-methylpropylamino)-oxomethyl]amino]-2-oxoethyl] ester
IUPAC NAME: [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
SYSTEMATIC NAME: [2-(2-methylpropylcarbamoylamino)-2-oxidanylidene-ethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
MOLECULAR FORMULA: C19H23N3O5S
MOLECULAR WEIGHT: 405.46802
SMILES: CC1=NC(=CS1)COC2=CC=CC=C2C(=O)OCC(=O)NC(=O)NCC(C)C
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Product OPENEYE NAME: [(1S)-2-(isobutylamino)-1-methyl-2-oxo-ethyl] 5-nitrobenzothiophene-2-carboxylate
CAS Name: 5-nitro-1-benzothiophene-2-carboxylic acid [(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl] 5-nitro-1-benzothiophene-2-carboxylate
SYSTEMATIC NAME: [(2S)-1-(2-methylpropylamino)-1-oxidanylidene-propan-2-yl] 5-nitro-1-benzothiophene-2-carboxylate
MOLECULAR FORMULA: C16H18N2O5S
MOLECULAR WEIGHT: 350.38952
SMILES: C[C@@H](C(=O)NCC(C)C)OC(=O)C1=CC2=C(S1)C=CC(=C2)[N+](=O)[O-]
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Product OPENEYE NAME: [(1R)-2-(1,3-benzodioxol-5-ylamino)-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-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate
SYSTEMATIC NAME: [(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl] 1-(furan-2-ylmethyl)-2,5-dimethyl-pyrrole-3-carboxylate
MOLECULAR FORMULA: C22H22N2O6
MOLECULAR WEIGHT: 410.41988
SMILES: CC1=CC(=C(N1CC2=CC=CO2)C)C(=O)O[C@H](C)C(=O)NC3=CC4=C(C=C3)OCO4
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Product OPENEYE NAME: [2-oxo-2-(propylcarbamoylamino)ethyl] 2-[(2-methylthiazol-4-yl)methoxy]benzoate
CAS Name: 2-[(2-methyl-4-thiazolyl)methoxy]benzoic acid [2-oxo-2-[[oxo(propylamino)methyl]amino]ethyl] ester
IUPAC NAME: [2-oxo-2-(propylcarbamoylamino)ethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
SYSTEMATIC NAME: [2-oxidanylidene-2-(propylcarbamoylamino)ethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
MOLECULAR FORMULA: C18H21N3O5S
MOLECULAR WEIGHT: 391.44144
SMILES: CCCNC(=O)NC(=O)COC(=O)C1=CC=CC=C1OCC2=CSC(=N2)C
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Product OPENEYE NAME: [(1R)-2-(2-methoxy-5-methyl-anilino)-1-methyl-2-oxo-ethyl] 5-nitrobenzothiophene-2-carboxylate
CAS Name: 5-nitro-1-benzothiophene-2-carboxylic acid [(2R)-1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2R)-1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 5-nitro-1-benzothiophene-2-carboxylate
SYSTEMATIC NAME: [(2R)-1-[(2-methoxy-5-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 5-nitro-1-benzothiophene-2-carboxylate
MOLECULAR FORMULA: C20H18N2O6S
MOLECULAR WEIGHT: 414.43172
SMILES: CC1=CC(=C(C=C1)OC)NC(=O)[C@@H](C)OC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-]
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Product OPENEYE NAME: [(1S)-2-(4-fluoroanilino)-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-fluoroanilino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
SYSTEMATIC NAME: [(2S)-1-[(4-fluorophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
MOLECULAR FORMULA: C21H19FN2O4S
MOLECULAR WEIGHT: 414.449963
SMILES: CC1=NC(=CS1)COC2=CC=CC=C2C(=O)O[C@@H](C)C(=O)NC3=CC=C(C=C3)F
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Product OPENEYE NAME: [(1S)-2-(2-methoxy-5-methyl-anilino)-1-methyl-2-oxo-ethyl] 5-nitrobenzothiophene-2-carboxylate
CAS Name: 5-nitro-1-benzothiophene-2-carboxylic acid [(2S)-1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2S)-1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 5-nitro-1-benzothiophene-2-carboxylate
SYSTEMATIC NAME: [(2S)-1-[(2-methoxy-5-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 5-nitro-1-benzothiophene-2-carboxylate
MOLECULAR FORMULA: C20H18N2O6S
MOLECULAR WEIGHT: 414.43172
SMILES: CC1=CC(=C(C=C1)OC)NC(=O)[C@H](C)OC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-]
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Product OPENEYE NAME: [(1R)-2-(4-fluoroanilino)-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-fluoroanilino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
SYSTEMATIC NAME: [(2R)-1-[(4-fluorophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
MOLECULAR FORMULA: C21H19FN2O4S
MOLECULAR WEIGHT: 414.449963
SMILES: CC1=NC(=CS1)COC2=CC=CC=C2C(=O)O[C@H](C)C(=O)NC3=CC=C(C=C3)F
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Product OPENEYE NAME: [(1S)-2-(3-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-(3-cyanoanilino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2S)-1-(3-cyanoanilino)-1-oxopropan-2-yl] 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate
SYSTEMATIC NAME: [(2S)-1-[(3-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(=C3)C#N
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Product OPENEYE NAME: [(1S)-2-(cyclohexylamino)-1-methyl-2-oxo-ethyl] 2-[(2-methylthiazol-4-yl)methoxy]benzoate
CAS Name: 2-[(2-methyl-4-thiazolyl)methoxy]benzoic acid [(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl] 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
SYSTEMATIC NAME: [(2S)-1-(cyclohexylamino)-1-oxidanylidene-propan-2-yl] 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
MOLECULAR FORMULA: C21H26N2O4S
MOLECULAR WEIGHT: 402.50714
SMILES: CC1=NC(=CS1)COC2=CC=CC=C2C(=O)O[C@@H](C)C(=O)NC3CCCCC3
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Product OPENEYE NAME: [(1S)-2-[(2-chloro-3-pyridyl)amino]-1-methyl-2-oxo-ethyl] 5-nitrobenzothiophene-2-carboxylate
CAS Name: 5-nitro-1-benzothiophene-2-carboxylic acid [(2S)-1-[(2-chloro-3-pyridinyl)amino]-1-oxopropan-2-yl] ester
IUPAC NAME: [(2S)-1-[(2-chloropyridin-3-yl)amino]-1-oxopropan-2-yl] 5-nitro-1-benzothiophene-2-carboxylate
SYSTEMATIC NAME: [(2S)-1-[(2-chloranylpyridin-3-yl)amino]-1-oxidanylidene-propan-2-yl] 5-nitro-1-benzothiophene-2-carboxylate
MOLECULAR FORMULA: C17H12ClN3O5S
MOLECULAR WEIGHT: 405.81228
SMILES: C[C@@H](C(=O)NC1=C(N=CC=C1)Cl)OC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-]
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Product OPENEYE NAME: [(1R)-2-(cyclohexylamino)-1-methyl-2-oxo-ethyl] 2-[(2-methylthiazol-4-yl)methoxy]benzoate
CAS Name: 2-[(2-methyl-4-thiazolyl)methoxy]benzoic acid [(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
SYSTEMATIC NAME: [(2R)-1-(cyclohexylamino)-1-oxidanylidene-propan-2-yl] 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
MOLECULAR FORMULA: C21H26N2O4S
MOLECULAR WEIGHT: 402.50714
SMILES: CC1=NC(=CS1)COC2=CC=CC=C2C(=O)O[C@H](C)C(=O)NC3CCCCC3
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Product OPENEYE NAME: [(1R)-2-(3-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-(3-cyanoanilino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2R)-1-(3-cyanoanilino)-1-oxopropan-2-yl] 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate
SYSTEMATIC NAME: [(2R)-1-[(3-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(=C3)C#N
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Product OPENEYE NAME: [(1R)-2-[(2-chloro-3-pyridyl)amino]-1-methyl-2-oxo-ethyl] 5-nitrobenzothiophene-2-carboxylate
CAS Name: 5-nitro-1-benzothiophene-2-carboxylic acid [(2R)-1-[(2-chloro-3-pyridinyl)amino]-1-oxopropan-2-yl] ester
IUPAC NAME: [(2R)-1-[(2-chloropyridin-3-yl)amino]-1-oxopropan-2-yl] 5-nitro-1-benzothiophene-2-carboxylate
SYSTEMATIC NAME: [(2R)-1-[(2-chloranylpyridin-3-yl)amino]-1-oxidanylidene-propan-2-yl] 5-nitro-1-benzothiophene-2-carboxylate
MOLECULAR FORMULA: C17H12ClN3O5S
MOLECULAR WEIGHT: 405.81228
SMILES: C[C@H](C(=O)NC1=C(N=CC=C1)Cl)OC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-]
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