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

Systemtic Name: [2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxidanylidene-ethyl] 4-acetamidobenzoate Openeye Name: [2-oxo-2-[2-(p-tolylsulfanyl)ethylamino]ethyl] 4-acetamidobenzoate CAS Name: 4-acetamidobenzoic acid [2-[2-[(4-methylphenyl)thio]ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxoethyl] 4-acetamidobenzoate Traditional Name: 4-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=C(C=C2)NC(=O)C

Isomeric SMILES

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

InChI

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