Friday, July 6, 2012

All Chemical Compounds Information




Product OPENEYE NAME: (4S,5R)-5-cyclopentyl-4-phenyl-1,3-oxathiolan-2-one
CAS Name: (4S,5R)-5-cyclopentyl-4-phenyl-1,3-oxathiolan-2-one
IUPAC NAME: (4S,5R)-5-cyclopentyl-4-phenyl-1,3-oxathiolan-2-one
SYSTEMATIC NAME: (4S,5R)-5-cyclopentyl-4-phenyl-1,3-oxathiolan-2-one
MOLECULAR FORMULA: C14H16O2S
MOLECULAR WEIGHT: 248.34064
SMILES: C1CCC(C1)[C@@H]2[C@@H](SC(=O)O2)C3=CC=CC=C3
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Product OPENEYE NAME: (4S,5R)-5-octyl-4-phenyl-1,3-oxathiolan-2-one
CAS Name: (4S,5R)-5-octyl-4-phenyl-1,3-oxathiolan-2-one
IUPAC NAME: (4S,5R)-5-octyl-4-phenyl-1,3-oxathiolan-2-one
SYSTEMATIC NAME: (4S,5R)-5-octyl-4-phenyl-1,3-oxathiolan-2-one
MOLECULAR FORMULA: C17H24O2S
MOLECULAR WEIGHT: 292.43626
SMILES: CCCCCCCC[C@@H]1[C@@H](SC(=O)O1)C2=CC=CC=C2
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Product OPENEYE NAME: (4S,5R)-5-(2-methylprop-1-enyl)-4-phenyl-1,3-oxathiolan-2-one
CAS Name: (4S,5R)-5-(2-methylprop-1-enyl)-4-phenyl-1,3-oxathiolan-2-one
IUPAC NAME: (4S,5R)-5-(2-methylprop-1-enyl)-4-phenyl-1,3-oxathiolan-2-one
SYSTEMATIC NAME: (4S,5R)-5-(2-methylprop-1-enyl)-4-phenyl-1,3-oxathiolan-2-one
MOLECULAR FORMULA: C13H14O2S
MOLECULAR WEIGHT: 234.31406
SMILES: CC(=C[C@@H]1[C@@H](SC(=O)O1)C2=CC=CC=C2)C
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Product OPENEYE NAME: (4S,5R)-5-(4-fluorophenyl)-4-(4-methoxyphenyl)-1,3-oxathiolan-2-one
CAS Name: (4S,5R)-5-(4-fluorophenyl)-4-(4-methoxyphenyl)-1,3-oxathiolan-2-one
IUPAC NAME: (4S,5R)-5-(4-fluorophenyl)-4-(4-methoxyphenyl)-1,3-oxathiolan-2-one
SYSTEMATIC NAME: (4S,5R)-5-(4-fluorophenyl)-4-(4-methoxyphenyl)-1,3-oxathiolan-2-one
MOLECULAR FORMULA: C16H13FO3S
MOLECULAR WEIGHT: 304.336023
SMILES: COC1=CC=C(C=C1)[C@H]2[C@H](OC(=O)S2)C3=CC=C(C=C3)F
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Product OPENEYE NAME: (4S,5R)-5-(4-fluorophenyl)-4-(p-tolyl)-1,3-oxathiolan-2-one
CAS Name: (4S,5R)-5-(4-fluorophenyl)-4-(4-methylphenyl)-1,3-oxathiolan-2-one
IUPAC NAME: (4S,5R)-5-(4-fluorophenyl)-4-(4-methylphenyl)-1,3-oxathiolan-2-one
SYSTEMATIC NAME: (4S,5R)-5-(4-fluorophenyl)-4-(4-methylphenyl)-1,3-oxathiolan-2-one
MOLECULAR FORMULA: C16H13FO2S
MOLECULAR WEIGHT: 288.336623
SMILES: CC1=CC=C(C=C1)[C@H]2[C@H](OC(=O)S2)C3=CC=C(C=C3)F
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Product OPENEYE NAME: 6-(4-methoxyphenyl)-3-[2-[6-(4-methoxyphenyl)-6-methyl-2,5-dioxo-tetrahydropyran-3-yl]sulfanylethylsulfanyl]-6-methyl-tetrahydropyran-2,5-dione
CAS Name: 6-(4-methoxyphenyl)-3-[2-[[6-(4-methoxyphenyl)-6-methyl-2,5-dioxo-3-oxanyl]thio]ethylthio]-6-methyloxane-2,5-dione
IUPAC NAME: 6-(4-methoxyphenyl)-3-[2-[6-(4-methoxyphenyl)-6-methyl-2,5-dioxooxan-3-yl]sulfanylethylsulfanyl]-6-methyloxane-2,5-dione
SYSTEMATIC NAME: 6-(4-methoxyphenyl)-3-[2-[6-(4-methoxyphenyl)-6-methyl-2,5-bis(oxidanylidene)oxan-3-yl]sulfanylethylsulfanyl]-6-methyl-oxane-2,5-dione
MOLECULAR FORMULA: C28H30O8S2
MOLECULAR WEIGHT: 558.663
SMILES: CC1(C(=O)CC(C(=O)O1)SCCSC2CC(=O)C(OC2=O)(C)C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC
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Product OPENEYE NAME: (3R)-3-[(3R)-3-hydroxy-3-(4-methoxyphenyl)-2-oxo-butyl]piperazin-2-one
CAS Name: (3R)-3-[(3R)-3-hydroxy-3-(4-methoxyphenyl)-2-oxobutyl]-2-piperazinone
IUPAC NAME: (3R)-3-[(3R)-3-hydroxy-3-(4-methoxyphenyl)-2-oxobutyl]piperazin-2-one
SYSTEMATIC NAME: (3R)-3-[(3R)-3-(4-methoxyphenyl)-3-oxidanyl-2-oxidanylidene-butyl]piperazin-2-one
MOLECULAR FORMULA: C15H20N2O4
MOLECULAR WEIGHT: 292.3303
SMILES: C[C@@](C1=CC=C(C=C1)OC)(C(=O)C[C@@H]2C(=O)NCCN2)O
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Product OPENEYE NAME: (3S)-3-[(3R)-3-hydroxy-3-(4-methoxyphenyl)-2-oxo-butyl]piperazin-2-one
CAS Name: (3S)-3-[(3R)-3-hydroxy-3-(4-methoxyphenyl)-2-oxobutyl]-2-piperazinone
IUPAC NAME: (3S)-3-[(3R)-3-hydroxy-3-(4-methoxyphenyl)-2-oxobutyl]piperazin-2-one
SYSTEMATIC NAME: (3S)-3-[(3R)-3-(4-methoxyphenyl)-3-oxidanyl-2-oxidanylidene-butyl]piperazin-2-one
MOLECULAR FORMULA: C15H20N2O4
MOLECULAR WEIGHT: 292.3303
SMILES: C[C@@](C1=CC=C(C=C1)OC)(C(=O)C[C@H]2C(=O)NCCN2)O
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Product OPENEYE NAME: ethyl (3R,6S)-6-[(3S)-3-hydroxy-3-(4-methoxyphenyl)-2-oxo-butyl]-5-oxo-thiomorpholine-3-carboxylate
CAS Name: (3R,6S)-6-[(3S)-3-hydroxy-3-(4-methoxyphenyl)-2-oxobutyl]-5-oxo-3-thiomorpholinecarboxylic acid ethyl ester
IUPAC NAME: ethyl (3R,6S)-6-[(3S)-3-hydroxy-3-(4-methoxyphenyl)-2-oxobutyl]-5-oxothiomorpholine-3-carboxylate
SYSTEMATIC NAME: ethyl (3R,6S)-6-[(3S)-3-(4-methoxyphenyl)-3-oxidanyl-2-oxidanylidene-butyl]-5-oxidanylidene-thiomorpholine-3-carboxylate
MOLECULAR FORMULA: C18H23NO6S
MOLECULAR WEIGHT: 381.44332
SMILES: CCOC(=O)[C@@H]1CS[C@H](C(=O)N1)CC(=O)[C@](C)(C2=CC=C(C=C2)OC)O
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Product OPENEYE NAME: ethyl (3R,6R)-6-[(3S)-3-hydroxy-3-(4-methoxyphenyl)-2-oxo-butyl]-5-oxo-thiomorpholine-3-carboxylate
CAS Name: (3R,6R)-6-[(3S)-3-hydroxy-3-(4-methoxyphenyl)-2-oxobutyl]-5-oxo-3-thiomorpholinecarboxylic acid ethyl ester
IUPAC NAME: ethyl (3R,6R)-6-[(3S)-3-hydroxy-3-(4-methoxyphenyl)-2-oxobutyl]-5-oxothiomorpholine-3-carboxylate
SYSTEMATIC NAME: ethyl (3R,6R)-6-[(3S)-3-(4-methoxyphenyl)-3-oxidanyl-2-oxidanylidene-butyl]-5-oxidanylidene-thiomorpholine-3-carboxylate
MOLECULAR FORMULA: C18H23NO6S
MOLECULAR WEIGHT: 381.44332
SMILES: CCOC(=O)[C@@H]1CS[C@@H](C(=O)N1)CC(=O)[C@](C)(C2=CC=C(C=C2)OC)O
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Product OPENEYE NAME: methyl (Z)-3-(4-methoxyanilino)prop-2-enoate
CAS Name: (Z)-3-(4-methoxyanilino)-2-propenoic acid methyl ester
IUPAC NAME: methyl (Z)-3-(4-methoxyanilino)prop-2-enoate
SYSTEMATIC NAME: methyl (Z)-3-[(4-methoxyphenyl)amino]prop-2-enoate
MOLECULAR FORMULA: C11H13NO3
MOLECULAR WEIGHT: 207.22582
SMILES: COC1=CC=C(C=C1)N/C=C\C(=O)OC
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Product OPENEYE NAME: phenyl 4-(1,3-dioxolan-2-yl)-2-ethynyl-2H-quinoline-1-carboxylate
CAS Name: 4-(1,3-dioxolan-2-yl)-2-ethynyl-2H-quinoline-1-carboxylic acid phenyl ester
IUPAC NAME: phenyl 4-(1,3-dioxolan-2-yl)-2-ethynyl-2H-quinoline-1-carboxylate
SYSTEMATIC NAME: phenyl 4-(1,3-dioxolan-2-yl)-2-ethynyl-2H-quinoline-1-carboxylate
MOLECULAR FORMULA: C21H17NO4
MOLECULAR WEIGHT: 347.36398
SMILES: C#CC1C=C(C2=CC=CC=C2N1C(=O)OC3=CC=CC=C3)C4OCCO4
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