[2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-(2-propan-2-ylphenoxy)ethanoate

Systemtic Name: [2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-(2-propan-2-ylphenoxy)ethanoate Openeye Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxo-ethyl] 2-(2-isopropylphenoxy)acetate CAS Name: 2-(2-propan-2-ylphenoxy)acetic acid [2-[2-(cyanomethylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxoethyl] 2-(2-propan-2-ylphenoxy)acetate Traditional Name: 2-(2-isopropylphenoxy)acetic acid [2-[2-(cyanomethylthio)anilino]-2-keto-ethyl] ester Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1OCC(=O)OCC(=O)NC2=CC=CC=C2SCC#N

Isomeric SMILES

CC(C)C1=CC=CC=C1OCC(=O)OCC(=O)NC2=CC=CC=C2SCC#N

InChI

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