[1-[(2-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(4-methylphenyl)sulfanylpropanoate

Systemtic Name: [1-[(2-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(4-methylphenyl)sulfanylpropanoate Openeye Name: [2-(2-cyanoanilino)-1-methyl-2-oxo-ethyl] 3-(p-tolylsulfanyl)propanoate CAS Name: 3-[(4-methylphenyl)thio]propanoic acid [1-(2-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-cyanoanilino)-1-oxopropan-2-yl] 3-(4-methylphenyl)sulfanylpropanoate Traditional Name: 3-(p-tolylthio)propionic acid [2-(2-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C20H20N2O3S MolecularWeight: 368.4494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCC(=O)OC(C)C(=O)NC2=CC=CC=C2C#N

Isomeric SMILES

CC1=CC=C(C=C1)SCCC(=O)OC(C)C(=O)NC2=CC=CC=C2C#N

InChI

InChI=1S/C20H20N2O3S/c1-14-7-9-17(10-8-14)26-12-11-19(23)25-15(2)20(24)22-18-6-4-3-5-16(18)13-21/h3-10,15H,11-12H2,1-2H3,(H,22,24)