[2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 3-(4-cyanophenyl)propanoate

Systemtic Name: [2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 3-(4-cyanophenyl)propanoate Openeye Name: [2-(3-methylsulfanylanilino)-2-oxo-ethyl] 3-(4-cyanophenyl)propanoate CAS Name: 3-(4-cyanophenyl)propanoic acid [2-[3-(methylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-(3-methylsulfanylanilino)-2-oxoethyl] 3-(4-cyanophenyl)propanoate Traditional Name: 3-(4-cyanophenyl)propionic acid [2-keto-2-[3-(methylthio)anilino]ethyl] ester Formula: C19H18N2O3S MolecularWeight: 354.42282

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)COC(=O)CCC2=CC=C(C=C2)C#N

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)COC(=O)CCC2=CC=C(C=C2)C#N

InChI

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