[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 2-(2-methylphenyl)sulfanylethanoate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 2-(2-methylphenyl)sulfanylethanoate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 2-(o-tolylsulfanyl)acetate CAS Name: 2-[(2-methylphenyl)thio]acetic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 2-(2-methylphenyl)sulfanylacetate Traditional Name: 2-(o-tolylthio)acetic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C14H16N2O3S MolecularWeight: 292.35344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1SCC(=O)OCC(=O)NCCC#N

Isomeric SMILES

CC1=CC=CC=C1SCC(=O)OCC(=O)NCCC#N

InChI

InChI=1S/C14H16N2O3S/c1-11-5-2-3-6-12(11)20-10-14(18)19-9-13(17)16-8-4-7-15/h2-3,5-6H,4,8-10H2,1H3,(H,16,17)