[2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxidanylidene-ethyl] 2-(2-oxidanylidenepropylsulfanyl)benzoate

Systemtic Name: [2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxidanylidene-ethyl] 2-(2-oxidanylidenepropylsulfanyl)benzoate Openeye Name: [2-oxo-2-[2-(p-tolylsulfanyl)ethylamino]ethyl] 2-acetonylsulfanylbenzoate CAS Name: 2-(2-oxopropylthio)benzoic acid [2-[2-[(4-methylphenyl)thio]ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxoethyl] 2-(2-oxopropylsulfanyl)benzoate Traditional Name: 2-(acetonylthio)benzoic acid [2-keto-2-[2-(p-tolylthio)ethylamino]ethyl] ester Formula: C21H23NO4S2 MolecularWeight: 417.54162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCNC(=O)COC(=O)C2=CC=CC=C2SCC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)SCCNC(=O)COC(=O)C2=CC=CC=C2SCC(=O)C

InChI

InChI=1S/C21H23NO4S2/c1-15-7-9-17(10-8-15)27-12-11-22-20(24)13-26-21(25)18-5-3-4-6-19(18)28-14-16(2)23/h3-10H,11-14H2,1-2H3,(H,22,24)