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

Systemtic Name: methyl 5-[2-[methyl-(4-methylphenyl)sulfonyl-amino]ethanoylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 5-[[2-[methyl(p-tolylsulfonyl)amino]acetyl]amino]benzothiophene-2-carboxylate CAS Name: 5-[[2-[methyl-(4-methylphenyl)sulfonylamino]-1-oxoethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 5-[[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]-1-benzothiophene-2-carboxylate Traditional Name: 5-[[2-[methyl(tosyl)amino]acetyl]amino]benzothiophene-2-carboxylic acid methyl ester Formula: C20H20N2O5S2 MolecularWeight: 432.5132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O5S2/c1-13-4-7-16(8-5-13)29(25,26)22(2)12-19(23)21-15-6-9-17-14(10-15)11-18(28-17)20(24)27-3/h4-11H,12H2,1-3H3,(H,21,23)