Saturday, June 22, 2013

All Chemical Compounds Information



Product OPENEYE NAME: dimethyl 5-[(3aR,6aS)-2,5,5-trioxo-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-1-yl]benzene-1,3-dicarboxylate
CAS Name: 5-[(3aR,6aS)-2,5,5-trioxo-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-1-yl]benzene-1,3-dicarboxylic acid dimethyl ester
IUPAC NAME: dimethyl 5-[(3aR,6aS)-2,5,5-trioxo-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-1-yl]benzene-1,3-dicarboxylate
SYSTEMATIC NAME: dimethyl 5-[(3aR,6aS)-2,5,5-tris(oxidanylidene)-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-1-yl]benzene-1,3-dicarboxylate
MOLECULAR FORMULA: C16H17NO7S
MOLECULAR WEIGHT: 367.37368
SMILES: COC(=O)C1=CC(=CC(=C1)N2[C@@H]3CS(=O)(=O)C[C@@H]3CC2=O)C(=O)OC
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Product OPENEYE NAME: dimethyl 5-[(3aR,6aR)-2,5,5-trioxo-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-1-yl]benzene-1,3-dicarboxylate
CAS Name: 5-[(3aR,6aR)-2,5,5-trioxo-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-1-yl]benzene-1,3-dicarboxylic acid dimethyl ester
IUPAC NAME: dimethyl 5-[(3aR,6aR)-2,5,5-trioxo-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-1-yl]benzene-1,3-dicarboxylate
SYSTEMATIC NAME: dimethyl 5-[(3aR,6aR)-2,5,5-tris(oxidanylidene)-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-1-yl]benzene-1,3-dicarboxylate
MOLECULAR FORMULA: C16H17NO7S
MOLECULAR WEIGHT: 367.37368
SMILES: COC(=O)C1=CC(=CC(=C1)N2[C@H]3CS(=O)(=O)C[C@@H]3CC2=O)C(=O)OC
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Product OPENEYE NAME: dimethyl 5-[(3aS,6aS)-2,5,5-trioxo-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-1-yl]benzene-1,3-dicarboxylate
CAS Name: 5-[(3aS,6aS)-2,5,5-trioxo-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-1-yl]benzene-1,3-dicarboxylic acid dimethyl ester
IUPAC NAME: dimethyl 5-[(3aS,6aS)-2,5,5-trioxo-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-1-yl]benzene-1,3-dicarboxylate
SYSTEMATIC NAME: dimethyl 5-[(3aS,6aS)-2,5,5-tris(oxidanylidene)-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-1-yl]benzene-1,3-dicarboxylate
MOLECULAR FORMULA: C16H17NO7S
MOLECULAR WEIGHT: 367.37368
SMILES: COC(=O)C1=CC(=CC(=C1)N2[C@@H]3CS(=O)(=O)C[C@H]3CC2=O)C(=O)OC
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Product OPENEYE NAME: dimethyl 5-[(3aS,6aR)-2,5,5-trioxo-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-1-yl]benzene-1,3-dicarboxylate
CAS Name: 5-[(3aS,6aR)-2,5,5-trioxo-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-1-yl]benzene-1,3-dicarboxylic acid dimethyl ester
IUPAC NAME: dimethyl 5-[(3aS,6aR)-2,5,5-trioxo-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-1-yl]benzene-1,3-dicarboxylate
SYSTEMATIC NAME: dimethyl 5-[(3aS,6aR)-2,5,5-tris(oxidanylidene)-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-1-yl]benzene-1,3-dicarboxylate
MOLECULAR FORMULA: C16H17NO7S
MOLECULAR WEIGHT: 367.37368
SMILES: COC(=O)C1=CC(=CC(=C1)N2[C@H]3CS(=O)(=O)C[C@H]3CC2=O)C(=O)OC
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Product OPENEYE NAME: (3aR,6aS)-1-(4-fluoro-2-methyl-phenyl)-5,5-dioxo-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-2-one
CAS Name: (3aR,6aS)-1-(4-fluoro-2-methylphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-2-one
IUPAC NAME: (3aR,6aS)-1-(4-fluoro-2-methylphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-2-one
SYSTEMATIC NAME: (3aR,6aS)-1-(4-fluoranyl-2-methyl-phenyl)-5,5-bis(oxidanylidene)-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-2-one
MOLECULAR FORMULA: C13H14FNO3S
MOLECULAR WEIGHT: 283.318563
SMILES: CC1=C(C=CC(=C1)F)N2[C@@H]3CS(=O)(=O)C[C@@H]3CC2=O
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Product OPENEYE NAME: (3aR,6aR)-1-(4-fluoro-2-methyl-phenyl)-5,5-dioxo-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-2-one
CAS Name: (3aR,6aR)-1-(4-fluoro-2-methylphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-2-one
IUPAC NAME: (3aR,6aR)-1-(4-fluoro-2-methylphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-2-one
SYSTEMATIC NAME: (3aR,6aR)-1-(4-fluoranyl-2-methyl-phenyl)-5,5-bis(oxidanylidene)-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-2-one
MOLECULAR FORMULA: C13H14FNO3S
MOLECULAR WEIGHT: 283.318563
SMILES: CC1=C(C=CC(=C1)F)N2[C@H]3CS(=O)(=O)C[C@@H]3CC2=O
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Product OPENEYE NAME: (3aS,6aS)-1-(4-fluoro-2-methyl-phenyl)-5,5-dioxo-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-2-one
CAS Name: (3aS,6aS)-1-(4-fluoro-2-methylphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-2-one
IUPAC NAME: (3aS,6aS)-1-(4-fluoro-2-methylphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-2-one
SYSTEMATIC NAME: (3aS,6aS)-1-(4-fluoranyl-2-methyl-phenyl)-5,5-bis(oxidanylidene)-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-2-one
MOLECULAR FORMULA: C13H14FNO3S
MOLECULAR WEIGHT: 283.318563
SMILES: CC1=C(C=CC(=C1)F)N2[C@@H]3CS(=O)(=O)C[C@H]3CC2=O
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Product OPENEYE NAME: (3aS,6aR)-1-(4-fluoro-2-methyl-phenyl)-5,5-dioxo-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-2-one
CAS Name: (3aS,6aR)-1-(4-fluoro-2-methylphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-2-one
IUPAC NAME: (3aS,6aR)-1-(4-fluoro-2-methylphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-2-one
SYSTEMATIC NAME: (3aS,6aR)-1-(4-fluoranyl-2-methyl-phenyl)-5,5-bis(oxidanylidene)-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-2-one
MOLECULAR FORMULA: C13H14FNO3S
MOLECULAR WEIGHT: 283.318563
SMILES: CC1=C(C=CC(=C1)F)N2[C@H]3CS(=O)(=O)C[C@H]3CC2=O
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Product OPENEYE NAME: ethyl (E)-3-[4-[(3aR,6aS)-2,5,5-trioxo-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-1-yl]phenyl]prop-2-enoate
CAS Name: (E)-3-[4-[(3aR,6aS)-2,5,5-trioxo-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-1-yl]phenyl]-2-propenoic acid ethyl ester
IUPAC NAME: ethyl (E)-3-[4-[(3aR,6aS)-2,5,5-trioxo-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-1-yl]phenyl]prop-2-enoate
SYSTEMATIC NAME: ethyl (E)-3-[4-[(3aR,6aS)-2,5,5-tris(oxidanylidene)-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-1-yl]phenyl]prop-2-enoate
MOLECULAR FORMULA: C17H19NO5S
MOLECULAR WEIGHT: 349.40146
SMILES: CCOC(=O)/C=C/C1=CC=C(C=C1)N2[C@@H]3CS(=O)(=O)C[C@@H]3CC2=O
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Product OPENEYE NAME: ethyl (E)-3-[4-[(3aR,6aR)-2,5,5-trioxo-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-1-yl]phenyl]prop-2-enoate
CAS Name: (E)-3-[4-[(3aR,6aR)-2,5,5-trioxo-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-1-yl]phenyl]-2-propenoic acid ethyl ester
IUPAC NAME: ethyl (E)-3-[4-[(3aR,6aR)-2,5,5-trioxo-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-1-yl]phenyl]prop-2-enoate
SYSTEMATIC NAME: ethyl (E)-3-[4-[(3aR,6aR)-2,5,5-tris(oxidanylidene)-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-1-yl]phenyl]prop-2-enoate
MOLECULAR FORMULA: C17H19NO5S
MOLECULAR WEIGHT: 349.40146
SMILES: CCOC(=O)/C=C/C1=CC=C(C=C1)N2[C@H]3CS(=O)(=O)C[C@@H]3CC2=O
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Product OPENEYE NAME: ethyl (E)-3-[4-[(3aS,6aS)-2,5,5-trioxo-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-1-yl]phenyl]prop-2-enoate
CAS Name: (E)-3-[4-[(3aS,6aS)-2,5,5-trioxo-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-1-yl]phenyl]-2-propenoic acid ethyl ester
IUPAC NAME: ethyl (E)-3-[4-[(3aS,6aS)-2,5,5-trioxo-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-1-yl]phenyl]prop-2-enoate
SYSTEMATIC NAME: ethyl (E)-3-[4-[(3aS,6aS)-2,5,5-tris(oxidanylidene)-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-1-yl]phenyl]prop-2-enoate
MOLECULAR FORMULA: C17H19NO5S
MOLECULAR WEIGHT: 349.40146
SMILES: CCOC(=O)/C=C/C1=CC=C(C=C1)N2[C@@H]3CS(=O)(=O)C[C@H]3CC2=O
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Product OPENEYE NAME: ethyl (E)-3-[4-[(3aS,6aR)-2,5,5-trioxo-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-1-yl]phenyl]prop-2-enoate
CAS Name: (E)-3-[4-[(3aS,6aR)-2,5,5-trioxo-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-1-yl]phenyl]-2-propenoic acid ethyl ester
IUPAC NAME: ethyl (E)-3-[4-[(3aS,6aR)-2,5,5-trioxo-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-1-yl]phenyl]prop-2-enoate
SYSTEMATIC NAME: ethyl (E)-3-[4-[(3aS,6aR)-2,5,5-tris(oxidanylidene)-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-1-yl]phenyl]prop-2-enoate
MOLECULAR FORMULA: C17H19NO5S
MOLECULAR WEIGHT: 349.40146
SMILES: CCOC(=O)/C=C/C1=CC=C(C=C1)N2[C@H]3CS(=O)(=O)C[C@H]3CC2=O
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Product OPENEYE NAME: (1R,4R,5R)-N-[(2-hydroxyphenyl)carbamoyl]bicyclo[2.2.1]hept-2-ene-5-carboxamide
CAS Name: (1R,4R,5R)-N-[(2-hydroxyanilino)-oxomethyl]-5-bicyclo[2.2.1]hept-2-enecarboxamide
IUPAC NAME: (1R,4R,5R)-N-[(2-hydroxyphenyl)carbamoyl]bicyclo[2.2.1]hept-2-ene-5-carboxamide
SYSTEMATIC NAME: (1R,4R,5R)-N-[(2-hydroxyphenyl)carbamoyl]bicyclo[2.2.1]hept-2-ene-5-carboxamide
MOLECULAR FORMULA: C15H16N2O3
MOLECULAR WEIGHT: 272.29914
SMILES: C1[C@@H]2C[C@H]([C@H]1C=C2)C(=O)NC(=O)NC3=CC=CC=C3O
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Product OPENEYE NAME: (1R,4R,5S)-N-[(2-hydroxyphenyl)carbamoyl]bicyclo[2.2.1]hept-2-ene-5-carboxamide
CAS Name: (1R,4R,5S)-N-[(2-hydroxyanilino)-oxomethyl]-5-bicyclo[2.2.1]hept-2-enecarboxamide
IUPAC NAME: (1R,4R,5S)-N-[(2-hydroxyphenyl)carbamoyl]bicyclo[2.2.1]hept-2-ene-5-carboxamide
SYSTEMATIC NAME: (1R,4R,5S)-N-[(2-hydroxyphenyl)carbamoyl]bicyclo[2.2.1]hept-2-ene-5-carboxamide
MOLECULAR FORMULA: C15H16N2O3
MOLECULAR WEIGHT: 272.29914
SMILES: C1[C@@H]2C[C@@H]([C@H]1C=C2)C(=O)NC(=O)NC3=CC=CC=C3O
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Product OPENEYE NAME: 4-(cyclopropanecarbonyl)-N-(2,4-dimethylphenyl)piperidine-1-carboxamide
CAS Name: 4-[cyclopropyl(oxo)methyl]-N-(2,4-dimethylphenyl)-1-piperidinecarboxamide
IUPAC NAME: 4-(cyclopropanecarbonyl)-N-(2,4-dimethylphenyl)piperidine-1-carboxamide
SYSTEMATIC NAME: 4-cyclopropylcarbonyl-N-(2,4-dimethylphenyl)piperidine-1-carboxamide
MOLECULAR FORMULA: C18H24N2O2
MOLECULAR WEIGHT: 300.39536
SMILES: CC1=CC(=C(C=C1)NC(=O)N2CCC(CC2)C(=O)C3CC3)C
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Product OPENEYE NAME: N'-[2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]acetyl]-5-ethyl-4-methyl-thiophene-2-carbohydrazide
CAS Name: N'-[2-[4-(3-chlorophenyl)-1-piperazin-1-iumyl]-1-oxoethyl]-5-ethyl-4-methyl-2-thiophenecarbohydrazide
IUPAC NAME: N'-[2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]acetyl]-5-ethyl-4-methylthiophene-2-carbohydrazide
SYSTEMATIC NAME: N'-[2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]ethanoyl]-5-ethyl-4-methyl-thiophene-2-carbohydrazide
MOLECULAR FORMULA: C20H26ClN4O2S+
MOLECULAR WEIGHT: 421.96404
SMILES: CCC1=C(C=C(S1)C(=O)NNC(=O)C[NH+]2CCN(CC2)C3=CC(=CC=C3)Cl)C
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