Wednesday, February 29, 2012

All Chemical Compounds Information




Product OPENEYE NAME: 7-methyl-3-(2-phenoxyethyl)-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]triazin-4-one
CAS Name: 7-methyl-3-(2-phenoxyethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]triazin-4-one
IUPAC NAME: 7-methyl-3-(2-phenoxyethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]triazin-4-one
SYSTEMATIC NAME: 7-methyl-3-(2-phenoxyethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d][1,2,3]triazin-4-one
MOLECULAR FORMULA: C18H19N3O2S
MOLECULAR WEIGHT: 341.42736
SMILES: CC1CCC2=C(C1)SC3=C2C(=O)N(N=N3)CCOC4=CC=CC=C4
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Product OPENEYE NAME: 7-methyl-3-(m-tolylmethyl)-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]triazin-4-one
CAS Name: 7-methyl-3-[(3-methylphenyl)methyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]triazin-4-one
IUPAC NAME: 7-methyl-3-[(3-methylphenyl)methyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]triazin-4-one
SYSTEMATIC NAME: 7-methyl-3-[(3-methylphenyl)methyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d][1,2,3]triazin-4-one
MOLECULAR FORMULA: C18H19N3OS
MOLECULAR WEIGHT: 325.42796
SMILES: CC1CCC2=C(C1)SC3=C2C(=O)N(N=N3)CC4=CC=CC(=C4)C
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Product OPENEYE NAME: ethyl 2-[[4-(2-ethoxy-1-methyl-2-oxo-ethoxy)benzoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate
CAS Name: 2-[[[4-(1-ethoxy-1-oxopropan-2-yl)oxyphenyl]-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester
IUPAC NAME: ethyl 2-[[4-(1-ethoxy-1-oxopropan-2-yl)oxybenzoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SYSTEMATIC NAME: ethyl 2-[[4-(1-ethoxy-1-oxidanylidene-propan-2-yl)oxyphenyl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
MOLECULAR FORMULA: C23H27NO6S
MOLECULAR WEIGHT: 445.52858
SMILES: CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC=C(C=C3)OC(C)C(=O)OCC
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Product OPENEYE NAME: ethyl 2-[[4-(2-hydrazino-1-methyl-2-oxo-ethoxy)benzoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate
CAS Name: 2-[[[4-(1-hydrazinyl-1-oxopropan-2-yl)oxyphenyl]-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester
IUPAC NAME: ethyl 2-[[4-(1-hydrazinyl-1-oxopropan-2-yl)oxybenzoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SYSTEMATIC NAME: ethyl 2-[[4-(1-diazanyl-1-oxidanylidene-propan-2-yl)oxyphenyl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
MOLECULAR FORMULA: C21H25N3O5S
MOLECULAR WEIGHT: 431.5053
SMILES: CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC=C(C=C3)OC(C)C(=O)NN
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Product OPENEYE NAME: ethyl 2-[[4-(2-ethoxy-1-methyl-2-oxo-ethoxy)benzoyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate
CAS Name: 2-[[[4-(1-ethoxy-1-oxopropan-2-yl)oxyphenyl]-oxomethyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester
IUPAC NAME: ethyl 2-[[4-(1-ethoxy-1-oxopropan-2-yl)oxybenzoyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SYSTEMATIC NAME: ethyl 2-[[4-(1-ethoxy-1-oxidanylidene-propan-2-yl)oxyphenyl]carbonylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
MOLECULAR FORMULA: C24H29NO6S
MOLECULAR WEIGHT: 459.55516
SMILES: CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)C3=CC=C(C=C3)OC(C)C(=O)OCC
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Product OPENEYE NAME: ethyl 2-[[4-(2-hydrazino-1-methyl-2-oxo-ethoxy)benzoyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate
CAS Name: 2-[[[4-(1-hydrazinyl-1-oxopropan-2-yl)oxyphenyl]-oxomethyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester
IUPAC NAME: ethyl 2-[[4-(1-hydrazinyl-1-oxopropan-2-yl)oxybenzoyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SYSTEMATIC NAME: ethyl 2-[[4-(1-diazanyl-1-oxidanylidene-propan-2-yl)oxyphenyl]carbonylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
MOLECULAR FORMULA: C22H27N3O5S
MOLECULAR WEIGHT: 445.53188
SMILES: CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)C3=CC=C(C=C3)OC(C)C(=O)NN
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Product OPENEYE NAME: N-[1-(2-bromophenyl)ethylideneamino]-4-morpholinosulfonyl-2-nitro-aniline
CAS Name: N-[1-(2-bromophenyl)ethylideneamino]-4-(4-morpholinylsulfonyl)-2-nitroaniline
IUPAC NAME: N-[1-(2-bromophenyl)ethylideneamino]-4-morpholin-4-ylsulfonyl-2-nitroaniline
SYSTEMATIC NAME: N-[1-(2-bromophenyl)ethylideneamino]-4-morpholin-4-ylsulfonyl-2-nitro-aniline
MOLECULAR FORMULA: C18H19BrN4O5S
MOLECULAR WEIGHT: 483.33626
SMILES: CC(=NNC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)[N+](=O)[O-])C3=CC=CC=C3Br
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Product OPENEYE NAME: ethyl 4-[(4-hydroxybenzoyl)hydrazono]piperidine-1-carboxylate
CAS Name: 4-[[(4-hydroxyphenyl)-oxomethyl]hydrazinylidene]-1-piperidinecarboxylic acid ethyl ester
IUPAC NAME: ethyl 4-[(4-hydroxybenzoyl)hydrazinylidene]piperidine-1-carboxylate
SYSTEMATIC NAME: ethyl 4-[(4-hydroxyphenyl)carbonylhydrazinylidene]piperidine-1-carboxylate
MOLECULAR FORMULA: C15H19N3O4
MOLECULAR WEIGHT: 305.32906
SMILES: CCOC(=O)N1CCC(=NNC(=O)C2=CC=C(C=C2)O)CC1
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Product OPENEYE NAME: 5-[cyclopentyl(hept-6-enoyl)amino]-4-hydroxy-N-(2-hydroxyethyl)-3-(2-iodophenoxy)cyclohexene-1-carboxamide
CAS Name: 5-[cyclopentyl(1-oxohept-6-enyl)amino]-4-hydroxy-N-(2-hydroxyethyl)-3-(2-iodophenoxy)-1-cyclohexenecarboxamide
IUPAC NAME: 5-[cyclopentyl(hept-6-enoyl)amino]-4-hydroxy-N-(2-hydroxyethyl)-3-(2-iodophenoxy)cyclohexene-1-carboxamide
SYSTEMATIC NAME: 5-[cyclopentyl(hept-6-enoyl)amino]-N-(2-hydroxyethyl)-3-(2-iodanylphenoxy)-4-oxidanyl-cyclohexene-1-carboxamide
MOLECULAR FORMULA: C27H37IN2O5
MOLECULAR WEIGHT: 596.49755
SMILES: C=CCCCCC(=O)N(C1CCCC1)C2CC(=CC(C2O)OC3=CC=CC=C3I)C(=O)NCCO
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Product OPENEYE NAME: N-[2-(2,5-dimethoxyphenyl)ethyl]-N-[6-hydroxy-3-(2-hydroxyethylcarbamoyl)-5-(2-iodophenoxy)cyclohex-3-en-1-yl]-7-methoxy-benzofuran-2-carboxamide
CAS Name: N-[2-(2,5-dimethoxyphenyl)ethyl]-N-[6-hydroxy-3-[(2-hydroxyethylamino)-oxomethyl]-5-(2-iodophenoxy)-1-cyclohex-3-enyl]-7-methoxy-2-benzofurancarboxamide
IUPAC NAME: N-[2-(2,5-dimethoxyphenyl)ethyl]-N-[6-hydroxy-3-(2-hydroxyethylcarbamoyl)-5-(2-iodophenoxy)cyclohex-3-en-1-yl]-7-methoxy-1-benzofuran-2-carboxamide
SYSTEMATIC NAME: N-[2-(2,5-dimethoxyphenyl)ethyl]-N-[3-(2-hydroxyethylcarbamoyl)-5-(2-iodanylphenoxy)-6-oxidanyl-cyclohex-3-en-1-yl]-7-methoxy-1-benzofuran-2-carboxamide
MOLECULAR FORMULA: C35H37IN2O9
MOLECULAR WEIGHT: 756.58075
SMILES: COC1=CC(=C(C=C1)OC)CCN(C2CC(=CC(C2O)OC3=CC=CC=C3I)C(=O)NCCO)C(=O)C4=CC5=C(O4)C(=CC=C5)OC
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Product OPENEYE NAME: 4-hydroxy-N-(2-hydroxyethyl)-3-[(2-methoxyacetyl)-(p-tolylmethyl)amino]-3,4,4a,9b-tetrahydrodibenzofuran-1-carboxamide
CAS Name: 4-hydroxy-N-(2-hydroxyethyl)-3-[(2-methoxy-1-oxoethyl)-[(4-methylphenyl)methyl]amino]-3,4,4a,9b-tetrahydrodibenzofuran-1-carboxamide
IUPAC NAME: 4-hydroxy-N-(2-hydroxyethyl)-3-[(2-methoxyacetyl)-[(4-methylphenyl)methyl]amino]-3,4,4a,9b-tetrahydrodibenzofuran-1-carboxamide
SYSTEMATIC NAME: N-(2-hydroxyethyl)-3-[2-methoxyethanoyl-[(4-methylphenyl)methyl]amino]-4-oxidanyl-3,4,4a,9b-tetrahydrodibenzofuran-1-carboxamide
MOLECULAR FORMULA: C26H30N2O6
MOLECULAR WEIGHT: 466.5262
SMILES: CC1=CC=C(C=C1)CN(C2C=C(C3C(C2O)OC4=CC=CC=C34)C(=O)NCCO)C(=O)COC
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Product OPENEYE NAME: 5-[cyclohexylmethyl(3-cyclopentylpropanoyl)amino]-3-(4-formyl-2-iodo-6-methoxy-phenoxy)-4-hydroxy-N-(2-hydroxyethyl)cyclohexene-1-carboxamide
CAS Name: 5-[cyclohexylmethyl-(3-cyclopentyl-1-oxopropyl)amino]-3-(4-formyl-2-iodo-6-methoxyphenoxy)-4-hydroxy-N-(2-hydroxyethyl)-1-cyclohexenecarboxamide
IUPAC NAME: 5-[cyclohexylmethyl(3-cyclopentylpropanoyl)amino]-3-(4-formyl-2-iodo-6-methoxyphenoxy)-4-hydroxy-N-(2-hydroxyethyl)cyclohexene-1-carboxamide
SYSTEMATIC NAME: 5-[cyclohexylmethyl(3-cyclopentylpropanoyl)amino]-N-(2-hydroxyethyl)-3-(2-iodanyl-4-methanoyl-6-methoxy-phenoxy)-4-oxidanyl-cyclohexene-1-carboxamide
MOLECULAR FORMULA: C32H45IN2O7
MOLECULAR WEIGHT: 696.61337
SMILES: COC1=C(C(=CC(=C1)C=O)I)OC2C=C(CC(C2O)N(CC3CCCCC3)C(=O)CCC4CCCC4)C(=O)NCCO
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Product OPENEYE NAME: 3-[butanoyl(isopentyl)amino]-8-formyl-4-hydroxy-N-(2-hydroxyethyl)-6-methoxy-3,4,4a,9b-tetrahydrodibenzofuran-1-carboxamide
CAS Name: 8-formyl-4-hydroxy-N-(2-hydroxyethyl)-6-methoxy-3-[3-methylbutyl(1-oxobutyl)amino]-3,4,4a,9b-tetrahydrodibenzofuran-1-carboxamide
IUPAC NAME: 3-[butanoyl(3-methylbutyl)amino]-8-formyl-4-hydroxy-N-(2-hydroxyethyl)-6-methoxy-3,4,4a,9b-tetrahydrodibenzofuran-1-carboxamide
SYSTEMATIC NAME: 3-[butanoyl(3-methylbutyl)amino]-N-(2-hydroxyethyl)-8-methanoyl-6-methoxy-4-oxidanyl-3,4,4a,9b-tetrahydrodibenzofuran-1-carboxamide
MOLECULAR FORMULA: C26H36N2O7
MOLECULAR WEIGHT: 488.57324
SMILES: CCCC(=O)N(CCC(C)C)C1C=C(C2C(C1O)OC3=C2C=C(C=C3OC)C=O)C(=O)NCCO
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Product OPENEYE NAME: 3-[cyclopentanecarbonyl-[(2,4-dichlorophenyl)methyl]amino]-8-formyl-4-hydroxy-N-(2-hydroxyethyl)-6-methoxy-3,4,4a,9b-tetrahydrodibenzofuran-1-carboxamide
CAS Name: 3-[[cyclopentyl(oxo)methyl]-[(2,4-dichlorophenyl)methyl]amino]-8-formyl-4-hydroxy-N-(2-hydroxyethyl)-6-methoxy-3,4,4a,9b-tetrahydrodibenzofuran-1-carboxamide
IUPAC NAME: 3-[cyclopentanecarbonyl-[(2,4-dichlorophenyl)methyl]amino]-8-formyl-4-hydroxy-N-(2-hydroxyethyl)-6-methoxy-3,4,4a,9b-tetrahydrodibenzofuran-1-carboxamide
SYSTEMATIC NAME: 3-[cyclopentylcarbonyl-[(2,4-dichlorophenyl)methyl]amino]-N-(2-hydroxyethyl)-8-methanoyl-6-methoxy-4-oxidanyl-3,4,4a,9b-tetrahydrodibenzofuran-1-carboxamide
MOLECULAR FORMULA: C30H32Cl2N2O7
MOLECULAR WEIGHT: 603.49028
SMILES: COC1=CC(=CC2=C1OC3C2C(=CC(C3O)N(CC4=C(C=C(C=C4)Cl)Cl)C(=O)C5CCCC5)C(=O)NCCO)C=O
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Product OPENEYE NAME: [2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl] 3-(2,3-dimethoxyphenyl)prop-2-enoate
CAS Name: 3-(2,3-dimethoxyphenyl)-2-propenoic acid [2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl] ester
IUPAC NAME: [2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl] 3-(2,3-dimethoxyphenyl)prop-2-enoate
SYSTEMATIC NAME: [2-oxidanylidene-2-[3-(trifluoromethyl)phenyl]ethyl] 3-(2,3-dimethoxyphenyl)prop-2-enoate
MOLECULAR FORMULA: C20H17F3O5
MOLECULAR WEIGHT: 394.34119
SMILES: COC1=CC=CC(=C1OC)C=CC(=O)OCC(=O)C2=CC(=CC=C2)C(F)(F)F
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Product OPENEYE NAME: N-[1-[4-(difluoromethoxy)phenyl]ethylideneamino]cyclopropanecarboxamide
CAS Name: N-[1-[4-(difluoromethoxy)phenyl]ethylideneamino]cyclopropanecarboxamide
IUPAC NAME: N-[1-[4-(difluoromethoxy)phenyl]ethylideneamino]cyclopropanecarboxamide
SYSTEMATIC NAME: N-[1-[4-[bis(fluoranyl)methoxy]phenyl]ethylideneamino]cyclopropanecarboxamide
MOLECULAR FORMULA: C13H14F2N2O2
MOLECULAR WEIGHT: 268.259266
SMILES: CC(=NNC(=O)C1CC1)C2=CC=C(C=C2)OC(F)F
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