[2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] 2-(4-chlorophenyl)sulfanylethanoate

Systemtic Name: [2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] 2-(4-chlorophenyl)sulfanylethanoate Openeye Name: [2-[N-(2-cyanoethyl)anilino]-2-oxo-ethyl] 2-(4-chlorophenyl)sulfanylacetate CAS Name: 2-[(4-chlorophenyl)thio]acetic acid [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 2-(4-chlorophenyl)sulfanylacetate Traditional Name: 2-[(4-chlorophenyl)thio]acetic acid [2-[N-(2-cyanoethyl)anilino]-2-keto-ethyl] ester Formula: C19H17ClN2O3S MolecularWeight: 388.86788

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(CCC#N)C(=O)COC(=O)CSC2=CC=C(C=C2)Cl

Isomeric SMILES

C1=CC=C(C=C1)N(CCC#N)C(=O)COC(=O)CSC2=CC=C(C=C2)Cl

InChI

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