Friday, June 21, 2013

All Chemical Compounds Information




Product OPENEYE NAME: (3aR,6aR)-1-(2-methyl-1,3-benzothiazol-6-yl)-5,5-dioxo-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-2-one
CAS Name: (3aR,6aR)-1-(2-methyl-1,3-benzothiazol-6-yl)-5,5-dioxo-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-2-one
IUPAC NAME: (3aR,6aR)-1-(2-methyl-1,3-benzothiazol-6-yl)-5,5-dioxo-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-2-one
SYSTEMATIC NAME: (3aR,6aR)-1-(2-methyl-1,3-benzothiazol-6-yl)-5,5-bis(oxidanylidene)-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-2-one
MOLECULAR FORMULA: C14H14N2O3S2
MOLECULAR WEIGHT: 322.40256
SMILES: CC1=NC2=C(S1)C=C(C=C2)N3[C@H]4CS(=O)(=O)C[C@@H]4CC3=O
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Product OPENEYE NAME: (3aS,6aS)-1-(2-methyl-1,3-benzothiazol-6-yl)-5,5-dioxo-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-2-one
CAS Name: (3aS,6aS)-1-(2-methyl-1,3-benzothiazol-6-yl)-5,5-dioxo-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-2-one
IUPAC NAME: (3aS,6aS)-1-(2-methyl-1,3-benzothiazol-6-yl)-5,5-dioxo-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-2-one
SYSTEMATIC NAME: (3aS,6aS)-1-(2-methyl-1,3-benzothiazol-6-yl)-5,5-bis(oxidanylidene)-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-2-one
MOLECULAR FORMULA: C14H14N2O3S2
MOLECULAR WEIGHT: 322.40256
SMILES: CC1=NC2=C(S1)C=C(C=C2)N3[C@@H]4CS(=O)(=O)C[C@H]4CC3=O
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Product OPENEYE NAME: (3aS,6aR)-1-(2-methyl-1,3-benzothiazol-6-yl)-5,5-dioxo-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-2-one
CAS Name: (3aS,6aR)-1-(2-methyl-1,3-benzothiazol-6-yl)-5,5-dioxo-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-2-one
IUPAC NAME: (3aS,6aR)-1-(2-methyl-1,3-benzothiazol-6-yl)-5,5-dioxo-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-2-one
SYSTEMATIC NAME: (3aS,6aR)-1-(2-methyl-1,3-benzothiazol-6-yl)-5,5-bis(oxidanylidene)-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-2-one
MOLECULAR FORMULA: C14H14N2O3S2
MOLECULAR WEIGHT: 322.40256
SMILES: CC1=NC2=C(S1)C=C(C=C2)N3[C@H]4CS(=O)(=O)C[C@H]4CC3=O
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Product OPENEYE NAME: methyl 3-[(3aR,6aS)-2,5,5-trioxo-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-1-yl]benzoate
CAS Name: 3-[(3aR,6aS)-2,5,5-trioxo-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-1-yl]benzoic acid methyl ester
IUPAC NAME: methyl 3-[(3aR,6aS)-2,5,5-trioxo-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-1-yl]benzoate
SYSTEMATIC NAME: methyl 3-[(3aR,6aS)-2,5,5-tris(oxidanylidene)-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-1-yl]benzoate
MOLECULAR FORMULA: C14H15NO5S
MOLECULAR WEIGHT: 309.3376
SMILES: COC(=O)C1=CC(=CC=C1)N2[C@@H]3CS(=O)(=O)C[C@@H]3CC2=O
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Product OPENEYE NAME: methyl 3-[(3aR,6aR)-2,5,5-trioxo-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-1-yl]benzoate
CAS Name: 3-[(3aR,6aR)-2,5,5-trioxo-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-1-yl]benzoic acid methyl ester
IUPAC NAME: methyl 3-[(3aR,6aR)-2,5,5-trioxo-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-1-yl]benzoate
SYSTEMATIC NAME: methyl 3-[(3aR,6aR)-2,5,5-tris(oxidanylidene)-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-1-yl]benzoate
MOLECULAR FORMULA: C14H15NO5S
MOLECULAR WEIGHT: 309.3376
SMILES: COC(=O)C1=CC(=CC=C1)N2[C@H]3CS(=O)(=O)C[C@@H]3CC2=O
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Product OPENEYE NAME: methyl 3-[(3aS,6aS)-2,5,5-trioxo-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-1-yl]benzoate
CAS Name: 3-[(3aS,6aS)-2,5,5-trioxo-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-1-yl]benzoic acid methyl ester
IUPAC NAME: methyl 3-[(3aS,6aS)-2,5,5-trioxo-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-1-yl]benzoate
SYSTEMATIC NAME: methyl 3-[(3aS,6aS)-2,5,5-tris(oxidanylidene)-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-1-yl]benzoate
MOLECULAR FORMULA: C14H15NO5S
MOLECULAR WEIGHT: 309.3376
SMILES: COC(=O)C1=CC(=CC=C1)N2[C@@H]3CS(=O)(=O)C[C@H]3CC2=O
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Product OPENEYE NAME: methyl 3-[(3aS,6aR)-2,5,5-trioxo-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-1-yl]benzoate
CAS Name: 3-[(3aS,6aR)-2,5,5-trioxo-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-1-yl]benzoic acid methyl ester
IUPAC NAME: methyl 3-[(3aS,6aR)-2,5,5-trioxo-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-1-yl]benzoate
SYSTEMATIC NAME: methyl 3-[(3aS,6aR)-2,5,5-tris(oxidanylidene)-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-1-yl]benzoate
MOLECULAR FORMULA: C14H15NO5S
MOLECULAR WEIGHT: 309.3376
SMILES: COC(=O)C1=CC(=CC=C1)N2[C@H]3CS(=O)(=O)C[C@H]3CC2=O
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Product OPENEYE NAME: (3aR,6aS)-1-[4-(2,5-dimethoxyphenyl)thiazol-2-yl]-5,5-dioxo-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-2-one
CAS Name: (3aR,6aS)-1-[4-(2,5-dimethoxyphenyl)-2-thiazolyl]-5,5-dioxo-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-2-one
IUPAC NAME: (3aR,6aS)-1-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-5,5-dioxo-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-2-one
SYSTEMATIC NAME: (3aR,6aS)-1-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-5,5-bis(oxidanylidene)-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-2-one
MOLECULAR FORMULA: C17H18N2O5S2
MOLECULAR WEIGHT: 394.46522
SMILES: COC1=CC(=C(C=C1)OC)C2=CSC(=N2)N3[C@@H]4CS(=O)(=O)C[C@@H]4CC3=O
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Product OPENEYE NAME: (3aR,6aR)-1-[4-(2,5-dimethoxyphenyl)thiazol-2-yl]-5,5-dioxo-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-2-one
CAS Name: (3aR,6aR)-1-[4-(2,5-dimethoxyphenyl)-2-thiazolyl]-5,5-dioxo-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-2-one
IUPAC NAME: (3aR,6aR)-1-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-5,5-dioxo-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-2-one
SYSTEMATIC NAME: (3aR,6aR)-1-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-5,5-bis(oxidanylidene)-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-2-one
MOLECULAR FORMULA: C17H18N2O5S2
MOLECULAR WEIGHT: 394.46522
SMILES: COC1=CC(=C(C=C1)OC)C2=CSC(=N2)N3[C@H]4CS(=O)(=O)C[C@@H]4CC3=O
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Product OPENEYE NAME: (3aS,6aS)-1-[4-(2,5-dimethoxyphenyl)thiazol-2-yl]-5,5-dioxo-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-2-one
CAS Name: (3aS,6aS)-1-[4-(2,5-dimethoxyphenyl)-2-thiazolyl]-5,5-dioxo-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-2-one
IUPAC NAME: (3aS,6aS)-1-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-5,5-dioxo-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-2-one
SYSTEMATIC NAME: (3aS,6aS)-1-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-5,5-bis(oxidanylidene)-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-2-one
MOLECULAR FORMULA: C17H18N2O5S2
MOLECULAR WEIGHT: 394.46522
SMILES: COC1=CC(=C(C=C1)OC)C2=CSC(=N2)N3[C@@H]4CS(=O)(=O)C[C@H]4CC3=O
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Product OPENEYE NAME: (3aS,6aR)-1-[4-(2,5-dimethoxyphenyl)thiazol-2-yl]-5,5-dioxo-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-2-one
CAS Name: (3aS,6aR)-1-[4-(2,5-dimethoxyphenyl)-2-thiazolyl]-5,5-dioxo-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-2-one
IUPAC NAME: (3aS,6aR)-1-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-5,5-dioxo-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-2-one
SYSTEMATIC NAME: (3aS,6aR)-1-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-5,5-bis(oxidanylidene)-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-2-one
MOLECULAR FORMULA: C17H18N2O5S2
MOLECULAR WEIGHT: 394.46522
SMILES: COC1=CC(=C(C=C1)OC)C2=CSC(=N2)N3[C@H]4CS(=O)(=O)C[C@H]4CC3=O
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Product OPENEYE NAME: (3aR,6aS)-1-(3-chloro-4-methyl-phenyl)-5,5-dioxo-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-2-one
CAS Name: (3aR,6aS)-1-(3-chloro-4-methylphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-2-one
IUPAC NAME: (3aR,6aS)-1-(3-chloro-4-methylphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-2-one
SYSTEMATIC NAME: (3aR,6aS)-1-(3-chloranyl-4-methyl-phenyl)-5,5-bis(oxidanylidene)-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-2-one
MOLECULAR FORMULA: C13H14ClNO3S
MOLECULAR WEIGHT: 299.77316
SMILES: CC1=C(C=C(C=C1)N2[C@@H]3CS(=O)(=O)C[C@@H]3CC2=O)Cl
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Product OPENEYE NAME: (3aR,6aR)-1-(3-chloro-4-methyl-phenyl)-5,5-dioxo-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-2-one
CAS Name: (3aR,6aR)-1-(3-chloro-4-methylphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-2-one
IUPAC NAME: (3aR,6aR)-1-(3-chloro-4-methylphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-2-one
SYSTEMATIC NAME: (3aR,6aR)-1-(3-chloranyl-4-methyl-phenyl)-5,5-bis(oxidanylidene)-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-2-one
MOLECULAR FORMULA: C13H14ClNO3S
MOLECULAR WEIGHT: 299.77316
SMILES: CC1=C(C=C(C=C1)N2[C@H]3CS(=O)(=O)C[C@@H]3CC2=O)Cl
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Product OPENEYE NAME: (3aS,6aS)-1-(3-chloro-4-methyl-phenyl)-5,5-dioxo-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-2-one
CAS Name: (3aS,6aS)-1-(3-chloro-4-methylphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-2-one
IUPAC NAME: (3aS,6aS)-1-(3-chloro-4-methylphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-2-one
SYSTEMATIC NAME: (3aS,6aS)-1-(3-chloranyl-4-methyl-phenyl)-5,5-bis(oxidanylidene)-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-2-one
MOLECULAR FORMULA: C13H14ClNO3S
MOLECULAR WEIGHT: 299.77316
SMILES: CC1=C(C=C(C=C1)N2[C@@H]3CS(=O)(=O)C[C@H]3CC2=O)Cl
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Product OPENEYE NAME: (3aS,6aR)-1-(3-chloro-4-methyl-phenyl)-5,5-dioxo-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-2-one
CAS Name: (3aS,6aR)-1-(3-chloro-4-methylphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-2-one
IUPAC NAME: (3aS,6aR)-1-(3-chloro-4-methylphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-2-one
SYSTEMATIC NAME: (3aS,6aR)-1-(3-chloranyl-4-methyl-phenyl)-5,5-bis(oxidanylidene)-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-2-one
MOLECULAR FORMULA: C13H14ClNO3S
MOLECULAR WEIGHT: 299.77316
SMILES: CC1=C(C=C(C=C1)N2[C@H]3CS(=O)(=O)C[C@H]3CC2=O)Cl
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