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

Systemtic Name: [2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl] 3-(4-methoxyphenoxy)propanoate Openeye Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxo-ethyl] 3-(4-methoxyphenoxy)propanoate CAS Name: 3-(4-methoxyphenoxy)propanoic acid [2-[2-(cyanomethylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxoethyl] 3-(4-methoxyphenoxy)propanoate Traditional Name: 3-(4-methoxyphenoxy)propionic acid [2-[2-(cyanomethylthio)anilino]-2-keto-ethyl] ester Formula: C20H20N2O5S MolecularWeight: 400.4482

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O5S/c1-25-15-6-8-16(9-7-15)26-12-10-20(24)27-14-19(23)22-17-4-2-3-5-18(17)28-13-11-21/h2-9H,10,12-14H2,1H3,(H,22,23)