[2-[2-(4-chlorophenyl)ethylamino]-2-oxidanylidene-ethyl] 2-(2-oxidanylidenepropylsulfanyl)benzoate

Systemtic Name: [2-[2-(4-chlorophenyl)ethylamino]-2-oxidanylidene-ethyl] 2-(2-oxidanylidenepropylsulfanyl)benzoate Openeye Name: [2-[2-(4-chlorophenyl)ethylamino]-2-oxo-ethyl] 2-acetonylsulfanylbenzoate CAS Name: 2-(2-oxopropylthio)benzoic acid [2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 2-(2-oxopropylsulfanyl)benzoate Traditional Name: 2-(acetonylthio)benzoic acid [2-[2-(4-chlorophenyl)ethylamino]-2-keto-ethyl] ester Formula: C20H20ClNO4S MolecularWeight: 405.8951

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CSC1=CC=CC=C1C(=O)OCC(=O)NCCC2=CC=C(C=C2)Cl

Isomeric SMILES

CC(=O)CSC1=CC=CC=C1C(=O)OCC(=O)NCCC2=CC=C(C=C2)Cl

InChI

InChI=1S/C20H20ClNO4S/c1-14(23)13-27-18-5-3-2-4-17(18)20(25)26-12-19(24)22-11-10-15-6-8-16(21)9-7-15/h2-9H,10-13H2,1H3,(H,22,24)