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

Systemtic Name: [2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl] 3-(2-ethoxyphenyl)propanoate Openeye Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxo-ethyl] 3-(2-ethoxyphenyl)propanoate CAS Name: 3-(2-ethoxyphenyl)propanoic acid [2-[2-(cyanomethylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate Traditional Name: 3-o-phenetylpropionic acid [2-[2-(cyanomethylthio)anilino]-2-keto-ethyl] ester Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1CCC(=O)OCC(=O)NC2=CC=CC=C2SCC#N

Isomeric SMILES

CCOC1=CC=CC=C1CCC(=O)OCC(=O)NC2=CC=CC=C2SCC#N

InChI

InChI=1S/C21H22N2O4S/c1-2-26-18-9-5-3-7-16(18)11-12-21(25)27-15-20(24)23-17-8-4-6-10-19(17)28-14-13-22/h3-10H,2,11-12,14-15H2,1H3,(H,23,24)