methyl 5-[2-[(4-methylphenyl)methyl-(4-methylphenyl)sulfonyl-amino]ethanoylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 5-[2-[(4-methylphenyl)methyl-(4-methylphenyl)sulfonyl-amino]ethanoylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 5-[[2-[p-tolylmethyl(p-tolylsulfonyl)amino]acetyl]amino]benzothiophene-2-carboxylate CAS Name: 5-[[2-[(4-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]-1-oxoethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 5-[[2-[(4-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]-1-benzothiophene-2-carboxylate Traditional Name: 5-[[2-[(4-methylbenzyl)-tosyl-amino]acetyl]amino]benzothiophene-2-carboxylic acid methyl ester Formula: C27H26N2O5S2 MolecularWeight: 522.63574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN(CC(=O)NC2=CC3=C(C=C2)SC(=C3)C(=O)OC)S(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)CN(CC(=O)NC2=CC3=C(C=C2)SC(=C3)C(=O)OC)S(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C27H26N2O5S2/c1-18-4-8-20(9-5-18)16-29(36(32,33)23-11-6-19(2)7-12-23)17-26(30)28-22-10-13-24-21(14-22)15-25(35-24)27(31)34-3/h4-15H,16-17H2,1-3H3,(H,28,30)