Thursday, February 28, 2013

All Chemical Compounds Information




Product OPENEYE NAME: [(1R)-2-(3-cyanoanilino)-1-methyl-2-oxo-ethyl] 3-(2-ethoxyphenyl)propanoate
CAS Name: 3-(2-ethoxyphenyl)propanoic acid [(2R)-1-(3-cyanoanilino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2R)-1-(3-cyanoanilino)-1-oxopropan-2-yl] 3-(2-ethoxyphenyl)propanoate
SYSTEMATIC NAME: [(2R)-1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(2-ethoxyphenyl)propanoate
MOLECULAR FORMULA: C21H22N2O4
MOLECULAR WEIGHT: 366.41038
SMILES: CCOC1=CC=CC=C1CCC(=O)O[C@H](C)C(=O)NC2=CC=CC(=C2)C#N
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Product OPENEYE NAME: N-[4-(cyanomethyl)phenyl]-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-acetamide
CAS Name: N-[4-(cyanomethyl)phenyl]-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]acetamide
IUPAC NAME: N-[4-(cyanomethyl)phenyl]-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide
SYSTEMATIC NAME: N-[4-(cyanomethyl)phenyl]-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-ethanamide
MOLECULAR FORMULA: C21H18N4OS
MOLECULAR WEIGHT: 374.45882
SMILES: CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)NC3=CC=C(C=C3)CC#N
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Product OPENEYE NAME: [(1R)-2-(2-chloroanilino)-1-methyl-2-oxo-ethyl] 2-[(2-fluorophenyl)sulfonylamino]acetate
CAS Name: 2-[(2-fluorophenyl)sulfonylamino]acetic acid [(2R)-1-(2-chloroanilino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2R)-1-(2-chloroanilino)-1-oxopropan-2-yl] 2-[(2-fluorophenyl)sulfonylamino]acetate
SYSTEMATIC NAME: [(2R)-1-[(2-chlorophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-[(2-fluorophenyl)sulfonylamino]ethanoate
MOLECULAR FORMULA: C17H16ClFN2O5S
MOLECULAR WEIGHT: 414.835743
SMILES: C[C@H](C(=O)NC1=CC=CC=C1Cl)OC(=O)CNS(=O)(=O)C2=CC=CC=C2F
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Product OPENEYE NAME: N-methyl-N-[(5-methyl-2-furyl)methyl]-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-acetamide
CAS Name: N-methyl-N-[(5-methyl-2-furanyl)methyl]-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]acetamide
IUPAC NAME: N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide
SYSTEMATIC NAME: N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-ethanamide
MOLECULAR FORMULA: C20H21N3O2S
MOLECULAR WEIGHT: 367.46464
SMILES: CC1=CC=C(O1)CN(C)C(=O)CSC2=NC(=CC(=N2)C)C3=CC=CC=C3
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Product OPENEYE NAME: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-(2-ethoxyphenyl)propanoate
CAS Name: 3-(2-ethoxyphenyl)propanoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester
IUPAC NAME: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-(2-ethoxyphenyl)propanoate
SYSTEMATIC NAME: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-(2-ethoxyphenyl)propanoate
MOLECULAR FORMULA: C20H21NO7
MOLECULAR WEIGHT: 387.38324
SMILES: CCOC1=CC=CC=C1CCC(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3
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Product OPENEYE NAME: [(1R)-2-(2,5-dimethylanilino)-1-methyl-2-oxo-ethyl] 2-[(2-fluorophenyl)sulfonylamino]acetate
CAS Name: 2-[(2-fluorophenyl)sulfonylamino]acetic acid [(2R)-1-(2,5-dimethylanilino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2R)-1-(2,5-dimethylanilino)-1-oxopropan-2-yl] 2-[(2-fluorophenyl)sulfonylamino]acetate
SYSTEMATIC NAME: [(2R)-1-[(2,5-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-[(2-fluorophenyl)sulfonylamino]ethanoate
MOLECULAR FORMULA: C19H21FN2O5S
MOLECULAR WEIGHT: 408.443843
SMILES: CC1=CC(=C(C=C1)C)NC(=O)[C@@H](C)OC(=O)CNS(=O)(=O)C2=CC=CC=C2F
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Product OPENEYE NAME: [2-(isopentylcarbamoylamino)-2-oxo-ethyl] 3-(2-ethoxyphenyl)propanoate
CAS Name: 3-(2-ethoxyphenyl)propanoic acid [2-[[(3-methylbutylamino)-oxomethyl]amino]-2-oxoethyl] ester
IUPAC NAME: [2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate
SYSTEMATIC NAME: [2-(3-methylbutylcarbamoylamino)-2-oxidanylidene-ethyl] 3-(2-ethoxyphenyl)propanoate
MOLECULAR FORMULA: C19H28N2O5
MOLECULAR WEIGHT: 364.43602
SMILES: CCOC1=CC=CC=C1CCC(=O)OCC(=O)NC(=O)NCCC(C)C
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Product OPENEYE NAME: (2S)-N-[(3-fluorophenyl)methyl]-N-methyl-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-propanamide
CAS Name: (2S)-N-[(3-fluorophenyl)methyl]-N-methyl-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]propanamide
IUPAC NAME: (2S)-N-[(3-fluorophenyl)methyl]-N-methyl-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylpropanamide
SYSTEMATIC NAME: (2S)-N-[(3-fluorophenyl)methyl]-N-methyl-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-propanamide
MOLECULAR FORMULA: C22H22FN3OS
MOLECULAR WEIGHT: 395.492983
SMILES: CC1=NC(=NC(=C1)C2=CC=CC=C2)S[C@@H](C)C(=O)N(C)CC3=CC(=CC=C3)F
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Product OPENEYE NAME: (2-benzamido-2-oxo-ethyl) 3-(2-ethoxyphenyl)propanoate
CAS Name: 3-(2-ethoxyphenyl)propanoic acid (2-benzamido-2-oxoethyl) ester
IUPAC NAME: (2-benzamido-2-oxoethyl) 3-(2-ethoxyphenyl)propanoate
SYSTEMATIC NAME: (2-benzamido-2-oxidanylidene-ethyl) 3-(2-ethoxyphenyl)propanoate
MOLECULAR FORMULA: C20H21NO5
MOLECULAR WEIGHT: 355.38444
SMILES: CCOC1=CC=CC=C1CCC(=O)OCC(=O)NC(=O)C2=CC=CC=C2
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Product OPENEYE NAME: [(1S)-2-(2,5-dimethylanilino)-1-methyl-2-oxo-ethyl] 2-[(2-fluorophenyl)sulfonylamino]acetate
CAS Name: 2-[(2-fluorophenyl)sulfonylamino]acetic acid [(2S)-1-(2,5-dimethylanilino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2S)-1-(2,5-dimethylanilino)-1-oxopropan-2-yl] 2-[(2-fluorophenyl)sulfonylamino]acetate
SYSTEMATIC NAME: [(2S)-1-[(2,5-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-[(2-fluorophenyl)sulfonylamino]ethanoate
MOLECULAR FORMULA: C19H21FN2O5S
MOLECULAR WEIGHT: 408.443843
SMILES: CC1=CC(=C(C=C1)C)NC(=O)[C@H](C)OC(=O)CNS(=O)(=O)C2=CC=CC=C2F
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Product OPENEYE NAME: (2R)-N-[(3-fluorophenyl)methyl]-N-methyl-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-propanamide
CAS Name: (2R)-N-[(3-fluorophenyl)methyl]-N-methyl-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]propanamide
IUPAC NAME: (2R)-N-[(3-fluorophenyl)methyl]-N-methyl-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylpropanamide
SYSTEMATIC NAME: (2R)-N-[(3-fluorophenyl)methyl]-N-methyl-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-propanamide
MOLECULAR FORMULA: C22H22FN3OS
MOLECULAR WEIGHT: 395.492983
SMILES: CC1=NC(=NC(=C1)C2=CC=CC=C2)S[C@H](C)C(=O)N(C)CC3=CC(=CC=C3)F
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Product OPENEYE NAME: (7-hydroxy-2-oxo-chromen-4-yl)methyl 3-(2-ethoxyphenyl)propanoate
CAS Name: 3-(2-ethoxyphenyl)propanoic acid (7-hydroxy-2-oxo-1-benzopyran-4-yl)methyl ester
IUPAC NAME: (7-hydroxy-2-oxochromen-4-yl)methyl 3-(2-ethoxyphenyl)propanoate
SYSTEMATIC NAME: (7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 3-(2-ethoxyphenyl)propanoate
MOLECULAR FORMULA: C21H20O6
MOLECULAR WEIGHT: 368.3799
SMILES: CCOC1=CC=CC=C1CCC(=O)OCC2=CC(=O)OC3=C2C=CC(=C3)O
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Product OPENEYE NAME: 2-(4-fluorophenyl)-5-[(1S)-1-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylethyl]-1,3,4-oxadiazole
CAS Name: 2-(4-fluorophenyl)-5-[(1S)-1-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]ethyl]-1,3,4-oxadiazole
IUPAC NAME: 2-(4-fluorophenyl)-5-[(1S)-1-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylethyl]-1,3,4-oxadiazole
SYSTEMATIC NAME: 2-(4-fluorophenyl)-5-[(1S)-1-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylethyl]-1,3,4-oxadiazole
MOLECULAR FORMULA: C21H17FN4OS
MOLECULAR WEIGHT: 392.449283
SMILES: CC1=NC(=NC(=C1)C2=CC=CC=C2)S[C@@H](C)C3=NN=C(O3)C4=CC=C(C=C4)F
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Product OPENEYE NAME: [(1S)-2-(2,4-dimethylanilino)-1-methyl-2-oxo-ethyl] 2-[(2-fluorophenyl)sulfonylamino]acetate
CAS Name: 2-[(2-fluorophenyl)sulfonylamino]acetic acid [(2S)-1-(2,4-dimethylanilino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2S)-1-(2,4-dimethylanilino)-1-oxopropan-2-yl] 2-[(2-fluorophenyl)sulfonylamino]acetate
SYSTEMATIC NAME: [(2S)-1-[(2,4-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-[(2-fluorophenyl)sulfonylamino]ethanoate
MOLECULAR FORMULA: C19H21FN2O5S
MOLECULAR WEIGHT: 408.443843
SMILES: CC1=CC(=C(C=C1)NC(=O)[C@H](C)OC(=O)CNS(=O)(=O)C2=CC=CC=C2F)C
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Product OPENEYE NAME: 2-(4-fluorophenyl)-5-[(1R)-1-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylethyl]-1,3,4-oxadiazole
CAS Name: 2-(4-fluorophenyl)-5-[(1R)-1-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]ethyl]-1,3,4-oxadiazole
IUPAC NAME: 2-(4-fluorophenyl)-5-[(1R)-1-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylethyl]-1,3,4-oxadiazole
SYSTEMATIC NAME: 2-(4-fluorophenyl)-5-[(1R)-1-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylethyl]-1,3,4-oxadiazole
MOLECULAR FORMULA: C21H17FN4OS
MOLECULAR WEIGHT: 392.449283
SMILES: CC1=NC(=NC(=C1)C2=CC=CC=C2)S[C@H](C)C3=NN=C(O3)C4=CC=C(C=C4)F
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Product OPENEYE NAME: [(1S)-2-(4-methoxyanilino)-1-methyl-2-oxo-ethyl] 2-[(2-fluorophenyl)sulfonylamino]acetate
CAS Name: 2-[(2-fluorophenyl)sulfonylamino]acetic acid [(2S)-1-(4-methoxyanilino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2S)-1-(4-methoxyanilino)-1-oxopropan-2-yl] 2-[(2-fluorophenyl)sulfonylamino]acetate
SYSTEMATIC NAME: [(2S)-1-[(4-methoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-[(2-fluorophenyl)sulfonylamino]ethanoate
MOLECULAR FORMULA: C18H19FN2O6S
MOLECULAR WEIGHT: 410.416663
SMILES: C[C@@H](C(=O)NC1=CC=C(C=C1)OC)OC(=O)CNS(=O)(=O)C2=CC=CC=C2F
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Product OPENEYE NAME: [2-(1-adamantylcarbamoylamino)-2-oxo-ethyl] 3-(2-ethoxyphenyl)propanoate
CAS Name: 3-(2-ethoxyphenyl)propanoic acid [2-[[(1-adamantylamino)-oxomethyl]amino]-2-oxoethyl] ester
IUPAC NAME: [2-(1-adamantylcarbamoylamino)-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate
SYSTEMATIC NAME: [2-(1-adamantylcarbamoylamino)-2-oxidanylidene-ethyl] 3-(2-ethoxyphenyl)propanoate
MOLECULAR FORMULA: C24H32N2O5
MOLECULAR WEIGHT: 428.52128
SMILES: CCOC1=CC=CC=C1CCC(=O)OCC(=O)NC(=O)NC23CC4CC(C2)CC(C4)C3
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Product OPENEYE NAME: ethyl (2S)-1-[2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylacetyl]piperidine-2-carboxylate
CAS Name: (2S)-1-[2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]-1-oxoethyl]-2-piperidinecarboxylic acid ethyl ester
IUPAC NAME: ethyl (2S)-1-[2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetyl]piperidine-2-carboxylate
SYSTEMATIC NAME: ethyl (2S)-1-[2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylethanoyl]piperidine-2-carboxylate
MOLECULAR FORMULA: C21H25N3O3S
MOLECULAR WEIGHT: 399.5065
SMILES: CCOC(=O)[C@@H]1CCCCN1C(=O)CSC2=NC(=CC(=N2)C)C3=CC=CC=C3
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Product OPENEYE NAME: [(1R)-2-(4-methoxyanilino)-1-methyl-2-oxo-ethyl] 2-[(2-fluorophenyl)sulfonylamino]acetate
CAS Name: 2-[(2-fluorophenyl)sulfonylamino]acetic acid [(2R)-1-(4-methoxyanilino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2R)-1-(4-methoxyanilino)-1-oxopropan-2-yl] 2-[(2-fluorophenyl)sulfonylamino]acetate
SYSTEMATIC NAME: [(2R)-1-[(4-methoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-[(2-fluorophenyl)sulfonylamino]ethanoate
MOLECULAR FORMULA: C18H19FN2O6S
MOLECULAR WEIGHT: 410.416663
SMILES: C[C@H](C(=O)NC1=CC=C(C=C1)OC)OC(=O)CNS(=O)(=O)C2=CC=CC=C2F
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Product OPENEYE NAME: [(1S)-2-(2-cyanoanilino)-1-methyl-2-oxo-ethyl] 3-(2-ethoxyphenyl)propanoate
CAS Name: 3-(2-ethoxyphenyl)propanoic acid [(2S)-1-(2-cyanoanilino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2S)-1-(2-cyanoanilino)-1-oxopropan-2-yl] 3-(2-ethoxyphenyl)propanoate
SYSTEMATIC NAME: [(2S)-1-[(2-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(2-ethoxyphenyl)propanoate
MOLECULAR FORMULA: C21H22N2O4
MOLECULAR WEIGHT: 366.41038
SMILES: CCOC1=CC=CC=C1CCC(=O)O[C@@H](C)C(=O)NC2=CC=CC=C2C#N
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Product OPENEYE NAME: ethyl (2R)-1-[2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylacetyl]piperidine-2-carboxylate
CAS Name: (2R)-1-[2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]-1-oxoethyl]-2-piperidinecarboxylic acid ethyl ester
IUPAC NAME: ethyl (2R)-1-[2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetyl]piperidine-2-carboxylate
SYSTEMATIC NAME: ethyl (2R)-1-[2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylethanoyl]piperidine-2-carboxylate
MOLECULAR FORMULA: C21H25N3O3S
MOLECULAR WEIGHT: 399.5065
SMILES: CCOC(=O)[C@H]1CCCCN1C(=O)CSC2=NC(=CC(=N2)C)C3=CC=CC=C3
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Product OPENEYE NAME: [(1S)-2-(3-fluoroanilino)-1-methyl-2-oxo-ethyl] 2-[(2-fluorophenyl)sulfonylamino]acetate
CAS Name: 2-[(2-fluorophenyl)sulfonylamino]acetic acid [(2S)-1-(3-fluoroanilino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2S)-1-(3-fluoroanilino)-1-oxopropan-2-yl] 2-[(2-fluorophenyl)sulfonylamino]acetate
SYSTEMATIC NAME: [(2S)-1-[(3-fluorophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-[(2-fluorophenyl)sulfonylamino]ethanoate
MOLECULAR FORMULA: C17H16F2N2O5S
MOLECULAR WEIGHT: 398.381146
SMILES: C[C@@H](C(=O)NC1=CC(=CC=C1)F)OC(=O)CNS(=O)(=O)C2=CC=CC=C2F
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