[2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl] 3-(4-chlorophenyl)sulfanylpropanoate

Systemtic Name: [2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl] 3-(4-chlorophenyl)sulfanylpropanoate Openeye Name: [2-[N-(cyanomethyl)anilino]-2-oxo-ethyl] 3-(4-chlorophenyl)sulfanylpropanoate CAS Name: 3-[(4-chlorophenyl)thio]propanoic acid [2-[N-(cyanomethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(cyanomethyl)anilino]-2-oxoethyl] 3-(4-chlorophenyl)sulfanylpropanoate Traditional Name: 3-[(4-chlorophenyl)thio]propionic acid [2-[N-(cyanomethyl)anilino]-2-keto-ethyl] ester Formula: C19H17ClN2O3S MolecularWeight: 388.86788

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(CC#N)C(=O)COC(=O)CCSC2=CC=C(C=C2)Cl

Isomeric SMILES

C1=CC=C(C=C1)N(CC#N)C(=O)COC(=O)CCSC2=CC=C(C=C2)Cl

InChI

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