[2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl] 3,5-dimethylbenzoate

Systemtic Name: [2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl] 3,5-dimethylbenzoate Openeye Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxo-ethyl] 3,5-dimethylbenzoate CAS Name: 3,5-dimethylbenzoic acid [2-[2-(cyanomethylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxoethyl] 3,5-dimethylbenzoate Traditional Name: 3,5-dimethylbenzoic acid [2-[2-(cyanomethylthio)anilino]-2-keto-ethyl] ester Formula: C19H18N2O3S MolecularWeight: 354.42282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)OCC(=O)NC2=CC=CC=C2SCC#N)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)OCC(=O)NC2=CC=CC=C2SCC#N)C

InChI

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