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

Systemtic Name: [2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxidanylidene-ethyl] 3-(phenylsulfonyl)propanoate Openeye Name: [2-oxo-2-[2-(p-tolylsulfanyl)ethylamino]ethyl] 3-(benzenesulfonyl)propanoate CAS Name: 3-(benzenesulfonyl)propanoic acid [2-[2-[(4-methylphenyl)thio]ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxoethyl] 3-(benzenesulfonyl)propanoate Traditional Name: 3-besylpropionic acid [2-keto-2-[2-(p-tolylthio)ethylamino]ethyl] ester Formula: C20H23NO5S2 MolecularWeight: 421.53032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23NO5S2/c1-16-7-9-17(10-8-16)27-13-12-21-19(22)15-26-20(23)11-14-28(24,25)18-5-3-2-4-6-18/h2-10H,11-15H2,1H3,(H,21,22)