[2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] 3-(2-chlorophenyl)sulfanylpropanoate

Systemtic Name: [2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] 3-(2-chlorophenyl)sulfanylpropanoate Openeye Name: [2-[N-(2-cyanoethyl)anilino]-2-oxo-ethyl] 3-(2-chlorophenyl)sulfanylpropanoate CAS Name: 3-[(2-chlorophenyl)thio]propanoic acid [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 3-(2-chlorophenyl)sulfanylpropanoate Traditional Name: 3-[(2-chlorophenyl)thio]propionic acid [2-[N-(2-cyanoethyl)anilino]-2-keto-ethyl] ester Formula: C20H19ClN2O3S MolecularWeight: 402.89446

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(CCC#N)C(=O)COC(=O)CCSC2=CC=CC=C2Cl

Isomeric SMILES

C1=CC=C(C=C1)N(CCC#N)C(=O)COC(=O)CCSC2=CC=CC=C2Cl

InChI

InChI=1S/C20H19ClN2O3S/c21-17-9-4-5-10-18(17)27-14-11-20(25)26-15-19(24)23(13-6-12-22)16-7-2-1-3-8-16/h1-5,7-10H,6,11,13-15H2