[2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-(2-methoxy-5-methyl-phenyl)ethanoate

Systemtic Name: [2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-(2-methoxy-5-methyl-phenyl)ethanoate Openeye Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxo-ethyl] 2-(2-methoxy-5-methyl-phenyl)acetate CAS Name: 2-(2-methoxy-5-methylphenyl)acetic acid [2-[2-(cyanomethylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxoethyl] 2-(2-methoxy-5-methylphenyl)acetate Traditional Name: 2-(2-methoxy-5-methyl-phenyl)acetic 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:

CC1=CC(=C(C=C1)OC)CC(=O)OCC(=O)NC2=CC=CC=C2SCC#N

Isomeric SMILES

CC1=CC(=C(C=C1)OC)CC(=O)OCC(=O)NC2=CC=CC=C2SCC#N

InChI

InChI=1S/C20H20N2O4S/c1-14-7-8-17(25-2)15(11-14)12-20(24)26-13-19(23)22-16-5-3-4-6-18(16)27-10-9-21/h3-8,11H,10,12-13H2,1-2H3,(H,22,23)