methyl 4-[2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethoxy]benzoate

Systemtic Name: methyl 4-[2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethoxy]benzoate Openeye Name: methyl 4-[2-[2-(cyanomethylsulfanyl)anilino]-2-oxo-ethoxy]benzoate CAS Name: 4-[2-[2-(cyanomethylthio)anilino]-2-oxoethoxy]benzoic acid methyl ester IUPAC Name: methyl 4-[2-[2-(cyanomethylsulfanyl)anilino]-2-oxoethoxy]benzoate Traditional Name: 4-[2-[2-(cyanomethylthio)anilino]-2-keto-ethoxy]benzoic acid methyl ester Formula: C18H16N2O4S MolecularWeight: 356.39564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N2O4S/c1-23-18(22)13-6-8-14(9-7-13)24-12-17(21)20-15-4-2-3-5-16(15)25-11-10-19/h2-9H,11-12H2,1H3,(H,20,21)