[2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl] 3-(4-methoxyphenyl)propanoate

Systemtic Name: [2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl] 3-(4-methoxyphenyl)propanoate Openeye Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxo-ethyl] 3-(4-methoxyphenyl)propanoate CAS Name: 3-(4-methoxyphenyl)propanoic acid [2-[2-(cyanomethylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxoethyl] 3-(4-methoxyphenyl)propanoate Traditional Name: 3-(4-methoxyphenyl)propionic acid [2-[2-(cyanomethylthio)anilino]-2-keto-ethyl] ester Formula: C20H20N2O4S MolecularWeight: 384.4488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCC(=O)OCC(=O)NC2=CC=CC=C2SCC#N

Isomeric SMILES

COC1=CC=C(C=C1)CCC(=O)OCC(=O)NC2=CC=CC=C2SCC#N

InChI

InChI=1S/C20H20N2O4S/c1-25-16-9-6-15(7-10-16)8-11-20(24)26-14-19(23)22-17-4-2-3-5-18(17)27-13-12-21/h2-7,9-10H,8,11,13-14H2,1H3,(H,22,23)