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

Systemtic Name: methyl 5-[2-[4-[(4-methylphenyl)methyl-methylsulfonyl-amino]phenoxy]ethanoylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 5-[[2-[4-[methylsulfonyl(p-tolylmethyl)amino]phenoxy]acetyl]amino]benzothiophene-2-carboxylate CAS Name: 5-[[2-[4-[(4-methylphenyl)methyl-methylsulfonylamino]phenoxy]-1-oxoethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 5-[[2-[4-[(4-methylphenyl)methyl-methylsulfonylamino]phenoxy]acetyl]amino]-1-benzothiophene-2-carboxylate Traditional Name: 5-[[2-[4-[mesyl-(4-methylbenzyl)amino]phenoxy]acetyl]amino]benzothiophene-2-carboxylic acid methyl ester Formula: C27H26N2O6S2 MolecularWeight: 538.63514

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN(C2=CC=C(C=C2)OCC(=O)NC3=CC4=C(C=C3)SC(=C4)C(=O)OC)S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)CN(C2=CC=C(C=C2)OCC(=O)NC3=CC4=C(C=C3)SC(=C4)C(=O)OC)S(=O)(=O)C

InChI

InChI=1S/C27H26N2O6S2/c1-18-4-6-19(7-5-18)16-29(37(3,32)33)22-9-11-23(12-10-22)35-17-26(30)28-21-8-13-24-20(14-21)15-25(36-24)27(31)34-2/h4-15H,16-17H2,1-3H3,(H,28,30)