[2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-(2-oxidanylidenepyridin-1-yl)ethanoate

Systemtic Name: [2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-(2-oxidanylidenepyridin-1-yl)ethanoate Openeye Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxo-ethyl] 2-(2-oxo-1-pyridyl)acetate CAS Name: 2-(2-oxo-1-pyridinyl)acetic acid [2-[2-(cyanomethylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxoethyl] 2-(2-oxopyridin-1-yl)acetate Traditional Name: 2-(2-keto-1-pyridyl)acetic acid [2-[2-(cyanomethylthio)anilino]-2-keto-ethyl] ester Formula: C17H15N3O4S MolecularWeight: 357.3837

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=O)COC(=O)CN2C=CC=CC2=O)SCC#N

Isomeric SMILES

C1=CC=C(C(=C1)NC(=O)COC(=O)CN2C=CC=CC2=O)SCC#N

InChI

InChI=1S/C17H15N3O4S/c18-8-10-25-14-6-2-1-5-13(14)19-15(21)12-24-17(23)11-20-9-4-3-7-16(20)22/h1-7,9H,10-12H2,(H,19,21)