[2-[(2-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] 3-(4-methylphenyl)sulfanylpropanoate

Systemtic Name: [2-[(2-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] 3-(4-methylphenyl)sulfanylpropanoate Openeye Name: [2-(2-methylsulfonylanilino)-2-oxo-ethyl] 3-(p-tolylsulfanyl)propanoate CAS Name: 3-[(4-methylphenyl)thio]propanoic acid [2-(2-methylsulfonylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methylsulfonylanilino)-2-oxoethyl] 3-(4-methylphenyl)sulfanylpropanoate Traditional Name: 3-(p-tolylthio)propionic acid [2-keto-2-(2-mesylanilino)ethyl] ester Formula: C19H21NO5S2 MolecularWeight: 407.50374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCC(=O)OCC(=O)NC2=CC=CC=C2S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)SCCC(=O)OCC(=O)NC2=CC=CC=C2S(=O)(=O)C

InChI

InChI=1S/C19H21NO5S2/c1-14-7-9-15(10-8-14)26-12-11-19(22)25-13-18(21)20-16-5-3-4-6-17(16)27(2,23)24/h3-10H,11-13H2,1-2H3,(H,20,21)