[2-[(2-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] 3-methyl-1-benzothiophene-2-carboxylate

Systemtic Name: [2-[(2-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] 3-methyl-1-benzothiophene-2-carboxylate Openeye Name: [2-(2-methylsulfonylanilino)-2-oxo-ethyl] 3-methylbenzothiophene-2-carboxylate CAS Name: 3-methyl-1-benzothiophene-2-carboxylic acid [2-(2-methylsulfonylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methylsulfonylanilino)-2-oxoethyl] 3-methyl-1-benzothiophene-2-carboxylate Traditional Name: 3-methylbenzothiophene-2-carboxylic acid [2-keto-2-(2-mesylanilino)ethyl] ester Formula: C19H17NO5S2 MolecularWeight: 403.47198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=CC=CC=C12)C(=O)OCC(=O)NC3=CC=CC=C3S(=O)(=O)C

Isomeric SMILES

CC1=C(SC2=CC=CC=C12)C(=O)OCC(=O)NC3=CC=CC=C3S(=O)(=O)C

InChI

InChI=1S/C19H17NO5S2/c1-12-13-7-3-5-9-15(13)26-18(12)19(22)25-11-17(21)20-14-8-4-6-10-16(14)27(2,23)24/h3-10H,11H2,1-2H3,(H,20,21)