[2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl] 4-ethylbenzoate

Systemtic Name: [2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl] 4-ethylbenzoate Openeye Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxo-ethyl] 4-ethylbenzoate CAS Name: 4-ethylbenzoic acid [2-[2-(cyanomethylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxoethyl] 4-ethylbenzoate Traditional Name: 4-ethylbenzoic acid [2-[2-(cyanomethylthio)anilino]-2-keto-ethyl] ester Formula: C19H18N2O3S MolecularWeight: 354.42282

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)OCC(=O)NC2=CC=CC=C2SCC#N

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)OCC(=O)NC2=CC=CC=C2SCC#N

InChI

InChI=1S/C19H18N2O3S/c1-2-14-7-9-15(10-8-14)19(23)24-13-18(22)21-16-5-3-4-6-17(16)25-12-11-20/h3-10H,2,12-13H2,1H3,(H,21,22)