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

Systemtic Name: methyl 5-[[2-[(2-fluorophenyl)methyl-methylsulfonyl-amino]-4,5-dimethoxy-phenyl]carbonylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 5-[[2-[(2-fluorophenyl)methyl-methylsulfonyl-amino]-4,5-dimethoxy-benzoyl]amino]benzothiophene-2-carboxylate CAS Name: 5-[[[2-[(2-fluorophenyl)methyl-methylsulfonylamino]-4,5-dimethoxyphenyl]-oxomethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 5-[[2-[(2-fluorophenyl)methyl-methylsulfonylamino]-4,5-dimethoxybenzoyl]amino]-1-benzothiophene-2-carboxylate Traditional Name: 5-[[2-[(2-fluorobenzyl)-mesyl-amino]-4,5-dimethoxy-benzoyl]amino]benzothiophene-2-carboxylic acid methyl ester Formula: C27H25FN2O7S2 MolecularWeight: 572.625003

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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=CC=C4F)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=CC=C4F)S(=O)(=O)C)OC

InChI

InChI=1S/C27H25FN2O7S2/c1-35-22-13-19(26(31)29-18-9-10-24-17(11-18)12-25(38-24)27(32)37-3)21(14-23(22)36-2)30(39(4,33)34)15-16-7-5-6-8-20(16)28/h5-14H,15H2,1-4H3,(H,29,31)