methyl 5-[[2-[(4-chlorophenyl)methyl-methylsulfonyl-amino]-4,5-dimethoxy-phenyl]carbonylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 5-[[2-[(4-chlorophenyl)methyl-methylsulfonyl-amino]-4,5-dimethoxy-phenyl]carbonylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 5-[[2-[(4-chlorophenyl)methyl-methylsulfonyl-amino]-4,5-dimethoxy-benzoyl]amino]benzothiophene-2-carboxylate CAS Name: 5-[[[2-[(4-chlorophenyl)methyl-methylsulfonylamino]-4,5-dimethoxyphenyl]-oxomethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 5-[[2-[(4-chlorophenyl)methyl-methylsulfonylamino]-4,5-dimethoxybenzoyl]amino]-1-benzothiophene-2-carboxylate Traditional Name: 5-[[2-[(4-chlorobenzyl)-mesyl-amino]-4,5-dimethoxy-benzoyl]amino]benzothiophene-2-carboxylic acid methyl ester Formula: C27H25ClN2O7S2 MolecularWeight: 589.0796

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)NC2=CC3=C(C=C2)SC(=C3)C(=O)OC)N(CC4=CC=C(C=C4)Cl)S(=O)(=O)C)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)NC2=CC3=C(C=C2)SC(=C3)C(=O)OC)N(CC4=CC=C(C=C4)Cl)S(=O)(=O)C)OC

InChI

InChI=1S/C27H25ClN2O7S2/c1-35-22-13-20(26(31)29-19-9-10-24-17(11-19)12-25(38-24)27(32)37-3)21(14-23(22)36-2)30(39(4,33)34)15-16-5-7-18(28)8-6-16/h5-14H,15H2,1-4H3,(H,29,31)