[2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxidanylidene-ethyl] 3-acetamidobenzoate

Systemtic Name: [2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxidanylidene-ethyl] 3-acetamidobenzoate Openeye Name: [2-oxo-2-[2-(p-tolylsulfanyl)ethylamino]ethyl] 3-acetamidobenzoate CAS Name: 3-acetamidobenzoic acid [2-[2-[(4-methylphenyl)thio]ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxoethyl] 3-acetamidobenzoate Traditional Name: 3-acetamidobenzoic acid [2-keto-2-[2-(p-tolylthio)ethylamino]ethyl] ester Formula: C20H22N2O4S MolecularWeight: 386.46468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCNC(=O)COC(=O)C2=CC(=CC=C2)NC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)SCCNC(=O)COC(=O)C2=CC(=CC=C2)NC(=O)C

InChI

InChI=1S/C20H22N2O4S/c1-14-6-8-18(9-7-14)27-11-10-21-19(24)13-26-20(25)16-4-3-5-17(12-16)22-15(2)23/h3-9,12H,10-11,13H2,1-2H3,(H,21,24)(H,22,23)