[2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] 2-methylsulfanylbenzoate

Systemtic Name: [2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] 2-methylsulfanylbenzoate Openeye Name: [2-[N-(2-cyanoethyl)anilino]-2-oxo-ethyl] 2-methylsulfanylbenzoate CAS Name: 2-(methylthio)benzoic acid [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 2-methylsulfanylbenzoate Traditional Name: 2-(methylthio)benzoic acid [2-[N-(2-cyanoethyl)anilino]-2-keto-ethyl] ester Formula: C19H18N2O3S MolecularWeight: 354.42282

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1C(=O)OCC(=O)N(CCC#N)C2=CC=CC=C2

Isomeric SMILES

CSC1=CC=CC=C1C(=O)OCC(=O)N(CCC#N)C2=CC=CC=C2

InChI

InChI=1S/C19H18N2O3S/c1-25-17-11-6-5-10-16(17)19(23)24-14-18(22)21(13-7-12-20)15-8-3-2-4-9-15/h2-6,8-11H,7,13-14H2,1H3