[2-[2-(4-chlorophenyl)sulfanylethylamino]-2-oxidanylidene-ethyl] 2-(cyanomethyl)benzoate

Systemtic Name: [2-[2-(4-chlorophenyl)sulfanylethylamino]-2-oxidanylidene-ethyl] 2-(cyanomethyl)benzoate Openeye Name: [2-[2-(4-chlorophenyl)sulfanylethylamino]-2-oxo-ethyl] 2-(cyanomethyl)benzoate CAS Name: 2-(cyanomethyl)benzoic acid [2-[2-[(4-chlorophenyl)thio]ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-chlorophenyl)sulfanylethylamino]-2-oxoethyl] 2-(cyanomethyl)benzoate Traditional Name: 2-(cyanomethyl)benzoic acid [2-[2-[(4-chlorophenyl)thio]ethylamino]-2-keto-ethyl] ester Formula: C19H17ClN2O3S MolecularWeight: 388.86788

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CC#N)C(=O)OCC(=O)NCCSC2=CC=C(C=C2)Cl

Isomeric SMILES

C1=CC=C(C(=C1)CC#N)C(=O)OCC(=O)NCCSC2=CC=C(C=C2)Cl

InChI

InChI=1S/C19H17ClN2O3S/c20-15-5-7-16(8-6-15)26-12-11-22-18(23)13-25-19(24)17-4-2-1-3-14(17)9-10-21/h1-8H,9,11-13H2,(H,22,23)