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

Systemtic Name: [2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-(5-ethanoyl-2-methoxy-phenyl)ethanoate Openeye Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxo-ethyl] 2-(5-acetyl-2-methoxy-phenyl)acetate CAS Name: 2-(5-acetyl-2-methoxyphenyl)acetic acid [2-[2-(cyanomethylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxoethyl] 2-(5-acetyl-2-methoxyphenyl)acetate Traditional Name: 2-(5-acetyl-2-methoxy-phenyl)acetic acid [2-[2-(cyanomethylthio)anilino]-2-keto-ethyl] ester Formula: C21H20N2O5S MolecularWeight: 412.4589

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O5S/c1-14(24)15-7-8-18(27-2)16(11-15)12-21(26)28-13-20(25)23-17-5-3-4-6-19(17)29-10-9-22/h3-8,11H,10,12-13H2,1-2H3,(H,23,25)