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

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 3-(2-chlorophenyl)sulfanylpropanoate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 3-(2-chlorophenyl)sulfanylpropanoate CAS Name: 3-[(2-chlorophenyl)thio]propanoic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 3-(2-chlorophenyl)sulfanylpropanoate Traditional Name: 3-[(2-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=C(C(=C1)SCCC(=O)OCC(=O)NCCC#N)Cl

Isomeric SMILES

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

InChI

InChI=1S/C14H15ClN2O3S/c15-11-4-1-2-5-12(11)21-9-6-14(19)20-10-13(18)17-8-3-7-16/h1-2,4-5H,3,6,8-10H2,(H,17,18)