[2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl] 3,3-dimethylbutanoate

Systemtic Name: [2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl] 3,3-dimethylbutanoate Openeye Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxo-ethyl] 3,3-dimethylbutanoate CAS Name: 3,3-dimethylbutanoic acid [2-[2-(cyanomethylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxoethyl] 3,3-dimethylbutanoate Traditional Name: 3,3-dimethylbutyric 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)(C)CC(=O)OCC(=O)NC1=CC=CC=C1SCC#N

Isomeric SMILES

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

InChI

InChI=1S/C16H20N2O3S/c1-16(2,3)10-15(20)21-11-14(19)18-12-6-4-5-7-13(12)22-9-8-17/h4-7H,9-11H2,1-3H3,(H,18,19)