[2-[(4-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 4-(4-methylphenyl)-4-oxidanylidene-butanoate

Systemtic Name: [2-[(4-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 4-(4-methylphenyl)-4-oxidanylidene-butanoate Openeye Name: [2-(4-methylsulfanylanilino)-2-oxo-ethyl] 4-oxo-4-(p-tolyl)butanoate CAS Name: 4-(4-methylphenyl)-4-oxobutanoic acid [2-[4-(methylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-(4-methylsulfanylanilino)-2-oxoethyl] 4-(4-methylphenyl)-4-oxobutanoate Traditional Name: 4-keto-4-(p-tolyl)butyric acid [2-keto-2-[4-(methylthio)anilino]ethyl] ester Formula: C20H21NO4S MolecularWeight: 371.45004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CCC(=O)OCC(=O)NC2=CC=C(C=C2)SC

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)CCC(=O)OCC(=O)NC2=CC=C(C=C2)SC

InChI

InChI=1S/C20H21NO4S/c1-14-3-5-15(6-4-14)18(22)11-12-20(24)25-13-19(23)21-16-7-9-17(26-2)10-8-16/h3-10H,11-13H2,1-2H3,(H,21,23)