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

Systemtic Name: [2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] 3-phenylsulfanylpropanoate Openeye Name: [2-[N-(2-cyanoethyl)anilino]-2-oxo-ethyl] 3-phenylsulfanylpropanoate CAS Name: 3-(phenylthio)propanoic acid [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 3-phenylsulfanylpropanoate Traditional Name: 3-(phenylthio)propionic acid [2-[N-(2-cyanoethyl)anilino]-2-keto-ethyl] ester Formula: C20H20N2O3S MolecularWeight: 368.4494

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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=C2

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O3S/c21-13-7-14-22(17-8-3-1-4-9-17)19(23)16-25-20(24)12-15-26-18-10-5-2-6-11-18/h1-6,8-11H,7,12,14-16H2