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

Systemtic Name: [2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl] 4-methylpentanoate Openeye Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxo-ethyl] 4-methylpentanoate CAS Name: 4-methylpentanoic acid [2-[2-(cyanomethylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxoethyl] 4-methylpentanoate Traditional Name: 4-methylvaleric acid [2-[2-(cyanomethylthio)anilino]-2-keto-ethyl] ester Formula: C16H20N2O3S MolecularWeight: 320.4066

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(=O)OCC(=O)NC1=CC=CC=C1SCC#N

Isomeric SMILES

CC(C)CCC(=O)OCC(=O)NC1=CC=CC=C1SCC#N

InChI

InChI=1S/C16H20N2O3S/c1-12(2)7-8-16(20)21-11-15(19)18-13-5-3-4-6-14(13)22-10-9-17/h3-6,12H,7-8,10-11H2,1-2H3,(H,18,19)