[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 3-[(4-chlorophenyl)sulfanylmethyl]benzoate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 3-[(4-chlorophenyl)sulfanylmethyl]benzoate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 3-[(4-chlorophenyl)sulfanylmethyl]benzoate CAS Name: 3-[[(4-chlorophenyl)thio]methyl]benzoic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 3-[(4-chlorophenyl)sulfanylmethyl]benzoate Traditional Name: 3-[[(4-chlorophenyl)thio]methyl]benzoic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C19H17ClN2O3S MolecularWeight: 388.86788

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CSC2=CC=C(C=C2)Cl)C(=O)OCC(=O)NCCC#N

Isomeric SMILES

C1=CC(=CC(=C1)CSC2=CC=C(C=C2)Cl)C(=O)OCC(=O)NCCC#N

InChI

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