Sunday, January 22, 2012

All Chemical Compounds Information




Product OPENEYE NAME: 4-[[2-[2-(4-ethylanilino)-2-oxo-ethyl]sulfanyl-4-oxo-thieno[3,2-d]pyrimidin-3-yl]methyl]cyclohexanecarboxylate
CAS Name: 4-[[2-[[2-(4-ethylanilino)-2-oxoethyl]thio]-4-oxo-3-thieno[3,2-d]pyrimidinyl]methyl]-1-cyclohexanecarboxylate
IUPAC NAME: 4-[[2-[2-(4-ethylanilino)-2-oxoethyl]sulfanyl-4-oxothieno[3,2-d]pyrimidin-3-yl]methyl]cyclohexane-1-carboxylate
SYSTEMATIC NAME: 4-[[2-[2-[(4-ethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-thieno[3,2-d]pyrimidin-3-yl]methyl]cyclohexane-1-carboxylate
MOLECULAR FORMULA: C24H26N3O4S2-
MOLECULAR WEIGHT: 484.61094
SMILES: CCC1=CC=C(C=C1)NC(=O)CSC2=NC3=C(C(=O)N2CC4CCC(CC4)C(=O)[O-])SC=C3
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Product OPENEYE NAME: 4-[[2-[2-(4-ethylanilino)-2-oxo-ethyl]sulfanyl-4-oxo-thieno[3,2-d]pyrimidin-3-yl]methyl]cyclohexanecarboxylic acid
CAS Name: 4-[[2-[[2-(4-ethylanilino)-2-oxoethyl]thio]-4-oxo-3-thieno[3,2-d]pyrimidinyl]methyl]-1-cyclohexanecarboxylic acid
IUPAC NAME: 4-[[2-[2-(4-ethylanilino)-2-oxoethyl]sulfanyl-4-oxothieno[3,2-d]pyrimidin-3-yl]methyl]cyclohexane-1-carboxylic acid
SYSTEMATIC NAME: 4-[[2-[2-[(4-ethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-thieno[3,2-d]pyrimidin-3-yl]methyl]cyclohexane-1-carboxylic acid
MOLECULAR FORMULA: C24H27N3O4S2
MOLECULAR WEIGHT: 485.61888
SMILES: CCC1=CC=C(C=C1)NC(=O)CSC2=NC3=C(C(=O)N2CC4CCC(CC4)C(=O)O)SC=C3
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Product OPENEYE NAME: 4-[[2-[2-(2,4-dimethoxyanilino)-2-oxo-ethyl]sulfanyl-4-oxo-thieno[3,2-d]pyrimidin-3-yl]methyl]cyclohexanecarboxylate
CAS Name: 4-[[2-[[2-(2,4-dimethoxyanilino)-2-oxoethyl]thio]-4-oxo-3-thieno[3,2-d]pyrimidinyl]methyl]-1-cyclohexanecarboxylate
IUPAC NAME: 4-[[2-[2-(2,4-dimethoxyanilino)-2-oxoethyl]sulfanyl-4-oxothieno[3,2-d]pyrimidin-3-yl]methyl]cyclohexane-1-carboxylate
SYSTEMATIC NAME: 4-[[2-[2-[(2,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-thieno[3,2-d]pyrimidin-3-yl]methyl]cyclohexane-1-carboxylate
MOLECULAR FORMULA: C24H26N3O6S2-
MOLECULAR WEIGHT: 516.60974
SMILES: COC1=CC(=C(C=C1)NC(=O)CSC2=NC3=C(C(=O)N2CC4CCC(CC4)C(=O)[O-])SC=C3)OC
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Product OPENEYE NAME: 4-[[2-[2-(2,4-dimethoxyanilino)-2-oxo-ethyl]sulfanyl-4-oxo-thieno[3,2-d]pyrimidin-3-yl]methyl]cyclohexanecarboxylic acid
CAS Name: 4-[[2-[[2-(2,4-dimethoxyanilino)-2-oxoethyl]thio]-4-oxo-3-thieno[3,2-d]pyrimidinyl]methyl]-1-cyclohexanecarboxylic acid
IUPAC NAME: 4-[[2-[2-(2,4-dimethoxyanilino)-2-oxoethyl]sulfanyl-4-oxothieno[3,2-d]pyrimidin-3-yl]methyl]cyclohexane-1-carboxylic acid
SYSTEMATIC NAME: 4-[[2-[2-[(2,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-thieno[3,2-d]pyrimidin-3-yl]methyl]cyclohexane-1-carboxylic acid
MOLECULAR FORMULA: C24H27N3O6S2
MOLECULAR WEIGHT: 517.61768
SMILES: COC1=CC(=C(C=C1)NC(=O)CSC2=NC3=C(C(=O)N2CC4CCC(CC4)C(=O)O)SC=C3)OC
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Product OPENEYE NAME: 2-[2-[2-[butyl(ethyl)amino]-2-oxo-ethyl]sulfanyl-4-oxo-thieno[3,2-d]pyrimidin-3-yl]acetate
CAS Name: 2-[2-[[2-[butyl(ethyl)amino]-2-oxoethyl]thio]-4-oxo-3-thieno[3,2-d]pyrimidinyl]acetate
IUPAC NAME: 2-[2-[2-[butyl(ethyl)amino]-2-oxoethyl]sulfanyl-4-oxothieno[3,2-d]pyrimidin-3-yl]acetate
SYSTEMATIC NAME: 2-[2-[2-[butyl(ethyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-thieno[3,2-d]pyrimidin-3-yl]ethanoate
MOLECULAR FORMULA: C16H20N3O4S2-
MOLECULAR WEIGHT: 382.4777
SMILES: CCCCN(CC)C(=O)CSC1=NC2=C(C(=O)N1CC(=O)[O-])SC=C2
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Product OPENEYE NAME: 2-[2-[2-[butyl(ethyl)amino]-2-oxo-ethyl]sulfanyl-4-oxo-thieno[3,2-d]pyrimidin-3-yl]acetic acid
CAS Name: 2-[2-[[2-[butyl(ethyl)amino]-2-oxoethyl]thio]-4-oxo-3-thieno[3,2-d]pyrimidinyl]acetic acid
IUPAC NAME: 2-[2-[2-[butyl(ethyl)amino]-2-oxoethyl]sulfanyl-4-oxothieno[3,2-d]pyrimidin-3-yl]acetic acid
SYSTEMATIC NAME: 2-[2-[2-[butyl(ethyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-thieno[3,2-d]pyrimidin-3-yl]ethanoic acid
MOLECULAR FORMULA: C16H21N3O4S2
MOLECULAR WEIGHT: 383.48564
SMILES: CCCCN(CC)C(=O)CSC1=NC2=C(C(=O)N1CC(=O)O)SC=C2
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Product OPENEYE NAME: 3-[2-[2-(2-methoxycarbonylanilino)-2-oxo-ethyl]sulfanyl-4-oxo-thieno[3,2-d]pyrimidin-3-yl]propanoate
CAS Name: 3-[2-[[2-(2-methoxycarbonylanilino)-2-oxoethyl]thio]-4-oxo-3-thieno[3,2-d]pyrimidinyl]propanoate
IUPAC NAME: 3-[2-[2-(2-methoxycarbonylanilino)-2-oxoethyl]sulfanyl-4-oxothieno[3,2-d]pyrimidin-3-yl]propanoate
SYSTEMATIC NAME: 3-[2-[2-[(2-methoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-thieno[3,2-d]pyrimidin-3-yl]propanoate
MOLECULAR FORMULA: C19H16N3O6S2-
MOLECULAR WEIGHT: 446.47684
SMILES: COC(=O)C1=CC=CC=C1NC(=O)CSC2=NC3=C(C(=O)N2CCC(=O)[O-])SC=C3
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Product OPENEYE NAME: 3-[2-[2-(2-methoxycarbonylanilino)-2-oxo-ethyl]sulfanyl-4-oxo-thieno[3,2-d]pyrimidin-3-yl]propanoic acid
CAS Name: 3-[2-[[2-(2-methoxycarbonylanilino)-2-oxoethyl]thio]-4-oxo-3-thieno[3,2-d]pyrimidinyl]propanoic acid
IUPAC NAME: 3-[2-[2-(2-methoxycarbonylanilino)-2-oxoethyl]sulfanyl-4-oxothieno[3,2-d]pyrimidin-3-yl]propanoic acid
SYSTEMATIC NAME: 3-[2-[2-[(2-methoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-thieno[3,2-d]pyrimidin-3-yl]propanoic acid
MOLECULAR FORMULA: C19H17N3O6S2
MOLECULAR WEIGHT: 447.48478
SMILES: COC(=O)C1=CC=CC=C1NC(=O)CSC2=NC3=C(C(=O)N2CCC(=O)O)SC=C3
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Product OPENEYE NAME: N-[2-[2-[butyl(methyl)amino]-2-oxo-ethyl]sulfanyl-4-oxo-thieno[3,2-d]pyrimidin-3-yl]benzamide
CAS Name: N-[2-[[2-[butyl(methyl)amino]-2-oxoethyl]thio]-4-oxo-3-thieno[3,2-d]pyrimidinyl]benzamide
IUPAC NAME: N-[2-[2-[butyl(methyl)amino]-2-oxoethyl]sulfanyl-4-oxothieno[3,2-d]pyrimidin-3-yl]benzamide
SYSTEMATIC NAME: N-[2-[2-[butyl(methyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-thieno[3,2-d]pyrimidin-3-yl]benzamide
MOLECULAR FORMULA: C20H22N4O3S2
MOLECULAR WEIGHT: 430.54368
SMILES: CCCCN(C)C(=O)CSC1=NC2=C(C(=O)N1NC(=O)C3=CC=CC=C3)SC=C2
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Product OPENEYE NAME: N-[2-[2-(3-nitrophenyl)-2-oxo-ethyl]sulfanyl-4-oxo-thieno[3,2-d]pyrimidin-3-yl]benzamide
CAS Name: N-[2-[[2-(3-nitrophenyl)-2-oxoethyl]thio]-4-oxo-3-thieno[3,2-d]pyrimidinyl]benzamide
IUPAC NAME: N-[2-[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl-4-oxothieno[3,2-d]pyrimidin-3-yl]benzamide
SYSTEMATIC NAME: N-[2-[2-(3-nitrophenyl)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-thieno[3,2-d]pyrimidin-3-yl]benzamide
MOLECULAR FORMULA: C21H14N4O5S2
MOLECULAR WEIGHT: 466.48966
SMILES: C1=CC=C(C=C1)C(=O)NN2C(=O)C3=C(C=CS3)N=C2SCC(=O)C4=CC(=CC=C4)[N+](=O)[O-]
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Product OPENEYE NAME: 2-(2-bromophenoxy)-N-[2-[2-(isopentylamino)-2-oxo-ethyl]sulfanyl-4-oxo-thieno[3,2-d]pyrimidin-3-yl]acetamide
CAS Name: 2-(2-bromophenoxy)-N-[2-[[2-(3-methylbutylamino)-2-oxoethyl]thio]-4-oxo-3-thieno[3,2-d]pyrimidinyl]acetamide
IUPAC NAME: 2-(2-bromophenoxy)-N-[2-[2-(3-methylbutylamino)-2-oxoethyl]sulfanyl-4-oxothieno[3,2-d]pyrimidin-3-yl]acetamide
SYSTEMATIC NAME: 2-(2-bromanylphenoxy)-N-[2-[2-(3-methylbutylamino)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-thieno[3,2-d]pyrimidin-3-yl]ethanamide
MOLECULAR FORMULA: C21H23BrN4O4S2
MOLECULAR WEIGHT: 539.46572
SMILES: CC(C)CCNC(=O)CSC1=NC2=C(C(=O)N1NC(=O)COC3=CC=CC=C3Br)SC=C2
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Product OPENEYE NAME: 2-(2-bromophenoxy)-N-(4-oxo-2-phenacylsulfanyl-thieno[3,2-d]pyrimidin-3-yl)acetamide
CAS Name: 2-(2-bromophenoxy)-N-[4-oxo-2-(phenacylthio)-3-thieno[3,2-d]pyrimidinyl]acetamide
IUPAC NAME: 2-(2-bromophenoxy)-N-(4-oxo-2-phenacylsulfanylthieno[3,2-d]pyrimidin-3-yl)acetamide
SYSTEMATIC NAME: 2-(2-bromanylphenoxy)-N-(4-oxidanylidene-2-phenacylsulfanyl-thieno[3,2-d]pyrimidin-3-yl)ethanamide
MOLECULAR FORMULA: C22H16BrN3O4S2
MOLECULAR WEIGHT: 530.41414
SMILES: C1=CC=C(C=C1)C(=O)CSC2=NC3=C(C(=O)N2NC(=O)COC4=CC=CC=C4Br)SC=C3
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Product OPENEYE NAME: 2-(2-bromophenoxy)-N-[2-[2-(4-chlorophenyl)-2-oxo-ethyl]sulfanyl-4-oxo-thieno[3,2-d]pyrimidin-3-yl]acetamide
CAS Name: 2-(2-bromophenoxy)-N-[2-[[2-(4-chlorophenyl)-2-oxoethyl]thio]-4-oxo-3-thieno[3,2-d]pyrimidinyl]acetamide
IUPAC NAME: 2-(2-bromophenoxy)-N-[2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-4-oxothieno[3,2-d]pyrimidin-3-yl]acetamide
SYSTEMATIC NAME: 2-(2-bromanylphenoxy)-N-[2-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-thieno[3,2-d]pyrimidin-3-yl]ethanamide
MOLECULAR FORMULA: C22H15BrClN3O4S2
MOLECULAR WEIGHT: 564.8592
SMILES: C1=CC=C(C(=C1)OCC(=O)NN2C(=O)C3=C(C=CS3)N=C2SCC(=O)C4=CC=C(C=C4)Cl)Br
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Product OPENEYE NAME: 2-(2-bromophenoxy)-N-[2-[2-(2-furylmethylamino)-2-oxo-ethyl]sulfanyl-4-oxo-thieno[3,2-d]pyrimidin-3-yl]acetamide
CAS Name: 2-(2-bromophenoxy)-N-[2-[[2-(2-furanylmethylamino)-2-oxoethyl]thio]-4-oxo-3-thieno[3,2-d]pyrimidinyl]acetamide
IUPAC NAME: 2-(2-bromophenoxy)-N-[2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-4-oxothieno[3,2-d]pyrimidin-3-yl]acetamide
SYSTEMATIC NAME: 2-(2-bromanylphenoxy)-N-[2-[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-thieno[3,2-d]pyrimidin-3-yl]ethanamide
MOLECULAR FORMULA: C21H17BrN4O5S2
MOLECULAR WEIGHT: 549.41748
SMILES: C1=CC=C(C(=C1)OCC(=O)NN2C(=O)C3=C(C=CS3)N=C2SCC(=O)NCC4=CC=CO4)Br
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Product OPENEYE NAME: 2-(2-bromophenoxy)-N-[4-oxo-2-[2-oxo-2-(p-tolylmethylamino)ethyl]sulfanyl-thieno[3,2-d]pyrimidin-3-yl]acetamide
CAS Name: 2-(2-bromophenoxy)-N-[2-[[2-[(4-methylphenyl)methylamino]-2-oxoethyl]thio]-4-oxo-3-thieno[3,2-d]pyrimidinyl]acetamide
IUPAC NAME: 2-(2-bromophenoxy)-N-[2-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]sulfanyl-4-oxothieno[3,2-d]pyrimidin-3-yl]acetamide
SYSTEMATIC NAME: 2-(2-bromanylphenoxy)-N-[2-[2-[(4-methylphenyl)methylamino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-thieno[3,2-d]pyrimidin-3-yl]ethanamide
MOLECULAR FORMULA: C24H21BrN4O4S2
MOLECULAR WEIGHT: 573.48194
SMILES: CC1=CC=C(C=C1)CNC(=O)CSC2=NC3=C(C(=O)N2NC(=O)COC4=CC=CC=C4Br)SC=C3
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Product OPENEYE NAME: 2-(2-bromophenoxy)-N-[2-[2-(3,4-dichlorophenyl)-2-oxo-ethyl]sulfanyl-4-oxo-thieno[3,2-d]pyrimidin-3-yl]acetamide
CAS Name: 2-(2-bromophenoxy)-N-[2-[[2-(3,4-dichlorophenyl)-2-oxoethyl]thio]-4-oxo-3-thieno[3,2-d]pyrimidinyl]acetamide
IUPAC NAME: 2-(2-bromophenoxy)-N-[2-[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanyl-4-oxothieno[3,2-d]pyrimidin-3-yl]acetamide
SYSTEMATIC NAME: 2-(2-bromanylphenoxy)-N-[2-[2-(3,4-dichlorophenyl)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-thieno[3,2-d]pyrimidin-3-yl]ethanamide
MOLECULAR FORMULA: C22H14BrCl2N3O4S2
MOLECULAR WEIGHT: 599.30426
SMILES: C1=CC=C(C(=C1)OCC(=O)NN2C(=O)C3=C(C=CS3)N=C2SCC(=O)C4=CC(=C(C=C4)Cl)Cl)Br
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Product OPENEYE NAME: 2-(2-bromophenoxy)-N-[2-[2-(4-fluorophenyl)-2-oxo-ethyl]sulfanyl-4-oxo-thieno[3,2-d]pyrimidin-3-yl]acetamide
CAS Name: 2-(2-bromophenoxy)-N-[2-[[2-(4-fluorophenyl)-2-oxoethyl]thio]-4-oxo-3-thieno[3,2-d]pyrimidinyl]acetamide
IUPAC NAME: 2-(2-bromophenoxy)-N-[2-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-4-oxothieno[3,2-d]pyrimidin-3-yl]acetamide
SYSTEMATIC NAME: 2-(2-bromanylphenoxy)-N-[2-[2-(4-fluorophenyl)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-thieno[3,2-d]pyrimidin-3-yl]ethanamide
MOLECULAR FORMULA: C22H15BrFN3O4S2
MOLECULAR WEIGHT: 548.404603
SMILES: C1=CC=C(C(=C1)OCC(=O)NN2C(=O)C3=C(C=CS3)N=C2SCC(=O)C4=CC=C(C=C4)F)Br
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Product OPENEYE NAME: ethyl 3-[benzyl-[3-(trifluoromethyl)phenyl]sulfonyl-amino]propanoate
CAS Name: 3-[(phenylmethyl)-[3-(trifluoromethyl)phenyl]sulfonylamino]propanoic acid ethyl ester
IUPAC NAME: ethyl 3-[benzyl-[3-(trifluoromethyl)phenyl]sulfonylamino]propanoate
SYSTEMATIC NAME: ethyl 3-[(phenylmethyl)-[3-(trifluoromethyl)phenyl]sulfonyl-amino]propanoate
MOLECULAR FORMULA: C19H20F3NO4S
MOLECULAR WEIGHT: 415.42661
SMILES: CCOC(=O)CCN(CC1=CC=CC=C1)S(=O)(=O)C2=CC=CC(=C2)C(F)(F)F
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Product OPENEYE NAME: ethyl 3-[benzyl(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)amino]propanoate
CAS Name: 3-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl-(phenylmethyl)amino]propanoic acid ethyl ester
IUPAC NAME: ethyl 3-[benzyl(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)amino]propanoate
SYSTEMATIC NAME: ethyl 3-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl-(phenylmethyl)amino]propanoate
MOLECULAR FORMULA: C20H23NO6S
MOLECULAR WEIGHT: 405.46472
SMILES: CCOC(=O)CCN(CC1=CC=CC=C1)S(=O)(=O)C2=CC3=C(C=C2)OCCO3
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Product OPENEYE NAME: ethyl 2-[[benzyl(3-pyridylmethyl)carbamothioyl]amino]acetate
CAS Name: 2-[[[(phenylmethyl)-(3-pyridinylmethyl)amino]-sulfanylidenemethyl]amino]acetic acid ethyl ester
IUPAC NAME: ethyl 2-[[benzyl(pyridin-3-ylmethyl)carbamothioyl]amino]acetate
SYSTEMATIC NAME: ethyl 2-[[(phenylmethyl)-(pyridin-3-ylmethyl)carbamothioyl]amino]ethanoate
MOLECULAR FORMULA: C18H21N3O2S
MOLECULAR WEIGHT: 343.44324
SMILES: CCOC(=O)CNC(=S)N(CC1=CC=CC=C1)CC2=CN=CC=C2
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Product OPENEYE NAME: ethyl 4-[[(2,4-dichlorophenyl)methyl-(4-nitrophenyl)sulfonyl-amino]methyl]benzoate
CAS Name: 4-[[(2,4-dichlorophenyl)methyl-(4-nitrophenyl)sulfonylamino]methyl]benzoic acid ethyl ester
IUPAC NAME: ethyl 4-[[(2,4-dichlorophenyl)methyl-(4-nitrophenyl)sulfonylamino]methyl]benzoate
SYSTEMATIC NAME: ethyl 4-[[(2,4-dichlorophenyl)methyl-(4-nitrophenyl)sulfonyl-amino]methyl]benzoate
MOLECULAR FORMULA: C23H20Cl2N2O6S
MOLECULAR WEIGHT: 523.3857
SMILES: CCOC(=O)C1=CC=C(C=C1)CN(CC2=C(C=C(C=C2)Cl)Cl)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]
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Product OPENEYE NAME: ethyl 4-[[(2,4-dichlorophenyl)methyl-(4-fluorophenyl)sulfonyl-amino]methyl]benzoate
CAS Name: 4-[[(2,4-dichlorophenyl)methyl-(4-fluorophenyl)sulfonylamino]methyl]benzoic acid ethyl ester
IUPAC NAME: ethyl 4-[[(2,4-dichlorophenyl)methyl-(4-fluorophenyl)sulfonylamino]methyl]benzoate
SYSTEMATIC NAME: ethyl 4-[[(2,4-dichlorophenyl)methyl-(4-fluorophenyl)sulfonyl-amino]methyl]benzoate
MOLECULAR FORMULA: C23H20Cl2FNO4S
MOLECULAR WEIGHT: 496.378603
SMILES: CCOC(=O)C1=CC=C(C=C1)CN(CC2=C(C=C(C=C2)Cl)Cl)S(=O)(=O)C3=CC=C(C=C3)F
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