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

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 3-(4-chlorophenyl)sulfanylpropanoate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 3-(4-chlorophenyl)sulfanylpropanoate CAS Name: 3-[(4-chlorophenyl)thio]propanoic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 3-(4-chlorophenyl)sulfanylpropanoate Traditional Name: 3-[(4-chlorophenyl)thio]propionic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C14H15ClN2O3S MolecularWeight: 326.7985

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1SCCC(=O)OCC(=O)NCCC#N)Cl

Isomeric SMILES

C1=CC(=CC=C1SCCC(=O)OCC(=O)NCCC#N)Cl

InChI

InChI=1S/C14H15ClN2O3S/c15-11-2-4-12(5-3-11)21-9-6-14(19)20-10-13(18)17-8-1-7-16/h2-5H,1,6,8-10H2,(H,17,18)