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

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

CC(C(=O)OCC(=O)NC1=CC=CC=C1SCC#N)OC2=CC=C(C=C2)OC

Isomeric SMILES

CC(C(=O)OCC(=O)NC1=CC=CC=C1SCC#N)OC2=CC=C(C=C2)OC

InChI

InChI=1S/C20H20N2O5S/c1-14(27-16-9-7-15(25-2)8-10-16)20(24)26-13-19(23)22-17-5-3-4-6-18(17)28-12-11-21/h3-10,14H,12-13H2,1-2H3,(H,22,23)