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

Systemtic Name: methyl 5-[[4,5-dimethoxy-2-[methylsulfonyl-(phenylmethyl)amino]phenyl]carbonylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 5-[[2-[benzyl(methylsulfonyl)amino]-4,5-dimethoxy-benzoyl]amino]benzothiophene-2-carboxylate CAS Name: 5-[[[4,5-dimethoxy-2-[methylsulfonyl-(phenylmethyl)amino]phenyl]-oxomethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 5-[[2-[benzyl(methylsulfonyl)amino]-4,5-dimethoxybenzoyl]amino]-1-benzothiophene-2-carboxylate Traditional Name: 5-[[2-[benzyl(mesyl)amino]-4,5-dimethoxy-benzoyl]amino]benzothiophene-2-carboxylic acid methyl ester Formula: C27H26N2O7S2 MolecularWeight: 554.63454

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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=C4)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=C4)S(=O)(=O)C)OC

InChI

InChI=1S/C27H26N2O7S2/c1-34-22-14-20(26(30)28-19-10-11-24-18(12-19)13-25(37-24)27(31)36-3)21(15-23(22)35-2)29(38(4,32)33)16-17-8-6-5-7-9-17/h5-15H,16H2,1-4H3,(H,28,30)