[1-[(2-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-phenylsulfanylpropanoate

Systemtic Name: [1-[(2-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-phenylsulfanylpropanoate Openeye Name: [2-(2-cyanoanilino)-1-methyl-2-oxo-ethyl] 3-phenylsulfanylpropanoate CAS Name: 3-(phenylthio)propanoic acid [1-(2-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-cyanoanilino)-1-oxopropan-2-yl] 3-phenylsulfanylpropanoate Traditional Name: 3-(phenylthio)propionic acid [2-(2-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C19H18N2O3S MolecularWeight: 354.42282

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1C#N)OC(=O)CCSC2=CC=CC=C2

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1C#N)OC(=O)CCSC2=CC=CC=C2

InChI

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