Sunday, October 2, 2011

All Chemical Compounds Information




Product OPENEYE NAME: (2R)-N-benzyl-2-(3-methylpyridin-1-ium-1-yl)-3-(4-nitrophenyl)-3-oxo-propanethioamide
CAS Name: (2R)-2-(3-methyl-1-pyridin-1-iumyl)-3-(4-nitrophenyl)-3-oxo-N-(phenylmethyl)propanethioamide
IUPAC NAME: (2R)-N-benzyl-2-(3-methylpyridin-1-ium-1-yl)-3-(4-nitrophenyl)-3-oxopropanethioamide
SYSTEMATIC NAME: (2R)-2-(3-methylpyridin-1-ium-1-yl)-3-(4-nitrophenyl)-3-oxidanylidene-N-(phenylmethyl)propanethioamide
MOLECULAR FORMULA: C22H20N3O3S+
MOLECULAR WEIGHT: 406.4775
SMILES: CC1=C[N+](=CC=C1)[C@H](C(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(=S)NCC3=CC=CC=C3
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Product OPENEYE NAME: 2-[(3,5-dimethylisoxazol-4-yl)methylsulfanyl]-N-[(1R,2R,4S)-1,7,7-trimethylnorbornan-2-yl]benzamide
CAS Name: 2-[(3,5-dimethyl-4-isoxazolyl)methylthio]-N-[(1S,3R,4R)-4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl]benzamide
IUPAC NAME: 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[(1S,3R,4R)-4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl]benzamide
SYSTEMATIC NAME: 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[(1S,3R,4R)-4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl]benzamide
MOLECULAR FORMULA: C23H30N2O2S
MOLECULAR WEIGHT: 398.5615
SMILES: CC1=C(C(=NO1)C)CSC2=CC=CC=C2C(=O)N[C@@H]3C[C@@H]4CC[C@@]3(C4(C)C)C
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C24H20N2O3
MOLECULAR WEIGHT: 384.4272
SMILES: C1[C@@H]2C=C[C@@H]1[C@H]3[C@@H]2C(=O)N(C3=O)CC(=O)NC4=CC5=C(CC6=CC=CC=C65)C=C4
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Product OPENEYE NAME: [2-[(2-chloro-3-pyridyl)amino]-2-oxo-ethyl] (2R)-2-(1,3-dioxoisoindolin-2-yl)-3-methyl-butanoate
CAS Name: (2R)-2-(1,3-dioxo-2-isoindolyl)-3-methylbutanoic acid [2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] ester
IUPAC NAME: [2-[(2-chloropyridin-3-yl)amino]-2-oxoethyl] (2R)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoate
SYSTEMATIC NAME: [2-[(2-chloranylpyridin-3-yl)amino]-2-oxidanylidene-ethyl] (2R)-2-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-methyl-butanoate
MOLECULAR FORMULA: C20H18ClN3O5
MOLECULAR WEIGHT: 415.82702
SMILES: CC(C)[C@H](C(=O)OCC(=O)NC1=C(N=CC=C1)Cl)N2C(=O)C3=CC=CC=C3C2=O
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Product OPENEYE NAME: [2-[[(1R)-1,2-dimethylpropyl]amino]-2-oxo-ethyl] (5S,7S)-3-bromoadamantane-1-carboxylate
CAS Name: (5S,7S)-3-bromo-1-adamantanecarboxylic acid [2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] ester
IUPAC NAME: [2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] (5S,7S)-3-bromoadamantane-1-carboxylate
SYSTEMATIC NAME: [2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxidanylidene-ethyl] (5S,7S)-3-bromanyladamantane-1-carboxylate
MOLECULAR FORMULA: C18H28BrNO3
MOLECULAR WEIGHT: 386.32382
SMILES: C[C@H](C(C)C)NC(=O)COC(=O)C12C[C@@H]3C[C@@H](C1)CC(C3)(C2)Br
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Product OPENEYE NAME: [2-[[(1S)-1,2-dimethylpropyl]amino]-2-oxo-ethyl] (5S,7S)-3-bromoadamantane-1-carboxylate
CAS Name: (5S,7S)-3-bromo-1-adamantanecarboxylic acid [2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] ester
IUPAC NAME: [2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] (5S,7S)-3-bromoadamantane-1-carboxylate
SYSTEMATIC NAME: [2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxidanylidene-ethyl] (5S,7S)-3-bromanyladamantane-1-carboxylate
MOLECULAR FORMULA: C18H28BrNO3
MOLECULAR WEIGHT: 386.32382
SMILES: C[C@@H](C(C)C)NC(=O)COC(=O)C12C[C@@H]3C[C@@H](C1)CC(C3)(C2)Br
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Product OPENEYE NAME: (2R)-2-chloro-N-[(1R,3R,5S)-3-ethyl-5-bicyclo[3.3.1]nonanyl]propanamide
CAS Name: (2R)-2-chloro-N-[(1R,3R,5S)-3-ethyl-5-bicyclo[3.3.1]nonanyl]propanamide
IUPAC NAME: (2R)-2-chloro-N-[(1R,3R,5S)-3-ethyl-5-bicyclo[3.3.1]nonanyl]propanamide
SYSTEMATIC NAME: (2R)-2-chloranyl-N-[(1R,3R,5S)-3-ethyl-5-bicyclo[3.3.1]nonanyl]propanamide
MOLECULAR FORMULA: C14H24ClNO
MOLECULAR WEIGHT: 257.79946
SMILES: CC[C@@H]1C[C@H]2CCC[C@@](C2)(C1)NC(=O)[C@@H](C)Cl
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Product OPENEYE NAME: (2R)-2-chloro-N-[(1R,3S,5S)-3-ethyl-5-bicyclo[3.3.1]nonanyl]propanamide
CAS Name: (2R)-2-chloro-N-[(1R,3S,5S)-3-ethyl-5-bicyclo[3.3.1]nonanyl]propanamide
IUPAC NAME: (2R)-2-chloro-N-[(1R,3S,5S)-3-ethyl-5-bicyclo[3.3.1]nonanyl]propanamide
SYSTEMATIC NAME: (2R)-2-chloranyl-N-[(1R,3S,5S)-3-ethyl-5-bicyclo[3.3.1]nonanyl]propanamide
MOLECULAR FORMULA: C14H24ClNO
MOLECULAR WEIGHT: 257.79946
SMILES: CC[C@H]1C[C@H]2CCC[C@@](C2)(C1)NC(=O)[C@@H](C)Cl
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Product OPENEYE NAME: (E)-[(2,5-dioxo-1-phenyl-pyrrolidin-3-yl)sulfanyl-(methylamino)methylene]-methyl-ammonium
CAS Name: (E)-[[(2,5-dioxo-1-phenyl-3-pyrrolidinyl)thio]-(methylamino)methylidene]-methylammonium
IUPAC NAME: (E)-[(2,5-dioxo-1-phenylpyrrolidin-3-yl)sulfanyl-(methylamino)methylidene]-methylazanium
SYSTEMATIC NAME: (E)-[[2,5-bis(oxidanylidene)-1-phenyl-pyrrolidin-3-yl]sulfanyl-(methylamino)methylidene]-methyl-azanium
MOLECULAR FORMULA: C13H16N3O2S+
MOLECULAR WEIGHT: 278.35004
SMILES: CN/C(=[NH+]\C)/SC1CC(=O)N(C1=O)C2=CC=CC=C2
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Product OPENEYE NAME: 2-[2-(octylsulfonylamino)ethylsulfanyl]-2-phenyl-acetic acid
CAS Name: 2-[2-(octylsulfonylamino)ethylthio]-2-phenylacetic acid
IUPAC NAME: 2-[2-(octylsulfonylamino)ethylsulfanyl]-2-phenylacetic acid
SYSTEMATIC NAME: 2-[2-(octylsulfonylamino)ethylsulfanyl]-2-phenyl-ethanoic acid
MOLECULAR FORMULA: C18H29NO4S2
MOLECULAR WEIGHT: 387.55716
SMILES: CCCCCCCCS(=O)(=O)NCCSC(C1=CC=CC=C1)C(=O)O
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Product OPENEYE NAME: 2-[2-[(4-chlorophenyl)sulfonylamino]ethylsulfanyl]-2-phenyl-acetamide
CAS Name: 2-[2-[(4-chlorophenyl)sulfonylamino]ethylthio]-2-phenylacetamide
IUPAC NAME: 2-[2-[(4-chlorophenyl)sulfonylamino]ethylsulfanyl]-2-phenylacetamide
SYSTEMATIC NAME: 2-[2-[(4-chlorophenyl)sulfonylamino]ethylsulfanyl]-2-phenyl-ethanamide
MOLECULAR FORMULA: C16H17ClN2O3S2
MOLECULAR WEIGHT: 384.90078
SMILES: C1=CC=C(C=C1)C(C(=O)N)SCCNS(=O)(=O)C2=CC=C(C=C2)Cl
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Product OPENEYE NAME: methyl 2-[2,6-difluoro-4-[2-[(4-fluorophenyl)sulfonylamino]ethylsulfanyl]phenoxy]acetate
CAS Name: 2-[2,6-difluoro-4-[2-[(4-fluorophenyl)sulfonylamino]ethylthio]phenoxy]acetic acid methyl ester
IUPAC NAME: methyl 2-[2,6-difluoro-4-[2-[(4-fluorophenyl)sulfonylamino]ethylsulfanyl]phenoxy]acetate
SYSTEMATIC NAME: methyl 2-[2,6-bis(fluoranyl)-4-[2-[(4-fluorophenyl)sulfonylamino]ethylsulfanyl]phenoxy]ethanoate
MOLECULAR FORMULA: C17H16F3NO5S2
MOLECULAR WEIGHT: 435.43785
SMILES: COC(=O)COC1=C(C=C(C=C1F)SCCNS(=O)(=O)C2=CC=C(C=C2)F)F
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Product OPENEYE NAME: 2-[4-(2-aminoethylsulfanyl)phenyl]propanoic acid
CAS Name: 2-[4-(2-aminoethylthio)phenyl]propanoic acid
IUPAC NAME: 2-[4-(2-aminoethylsulfanyl)phenyl]propanoic acid
SYSTEMATIC NAME: 2-[4-(2-azanylethylsulfanyl)phenyl]propanoic acid
MOLECULAR FORMULA: C11H15NO2S
MOLECULAR WEIGHT: 225.3073
SMILES: CC(C1=CC=C(C=C1)SCCN)C(=O)O
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Product OPENEYE NAME: 2-[2-[(4-bromophenyl)sulfonylamino]ethylsulfanyl]-2-phenyl-acetic acid
CAS Name: 2-[2-[(4-bromophenyl)sulfonylamino]ethylthio]-2-phenylacetic acid
IUPAC NAME: 2-[2-[(4-bromophenyl)sulfonylamino]ethylsulfanyl]-2-phenylacetic acid
SYSTEMATIC NAME: 2-[2-[(4-bromophenyl)sulfonylamino]ethylsulfanyl]-2-phenyl-ethanoic acid
MOLECULAR FORMULA: C16H16BrNO4S2
MOLECULAR WEIGHT: 430.33654
SMILES: C1=CC=C(C=C1)C(C(=O)O)SCCNS(=O)(=O)C2=CC=C(C=C2)Br
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Product OPENEYE NAME: 2-phenoxy-2-[2-[(2,4,5-trichlorophenyl)sulfonylamino]ethylsulfanyl]acetic acid
CAS Name: 2-phenoxy-2-[2-[(2,4,5-trichlorophenyl)sulfonylamino]ethylthio]acetic acid
IUPAC NAME: 2-phenoxy-2-[2-[(2,4,5-trichlorophenyl)sulfonylamino]ethylsulfanyl]acetic acid
SYSTEMATIC NAME: 2-phenoxy-2-[2-[[2,4,5-tris(chloranyl)phenyl]sulfonylamino]ethylsulfanyl]ethanoic acid
MOLECULAR FORMULA: C16H14Cl3NO5S2
MOLECULAR WEIGHT: 470.77506
SMILES: C1=CC=C(C=C1)OC(C(=O)O)SCCNS(=O)(=O)C2=CC(=C(C=C2Cl)Cl)Cl
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