[2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl] pentanoate

Systemtic Name: [2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl] pentanoate Openeye Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxo-ethyl] pentanoate CAS Name: pentanoic acid [2-[2-(cyanomethylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxoethyl] pentanoate Traditional Name: valeric acid [2-[2-(cyanomethylthio)anilino]-2-keto-ethyl] ester Formula: C15H18N2O3S MolecularWeight: 306.38002

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)OCC(=O)NC1=CC=CC=C1SCC#N

Isomeric SMILES

CCCCC(=O)OCC(=O)NC1=CC=CC=C1SCC#N

InChI

InChI=1S/C15H18N2O3S/c1-2-3-8-15(19)20-11-14(18)17-12-6-4-5-7-13(12)21-10-9-16/h4-7H,2-3,8,10-11H2,1H3,(H,17,18)