[2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-(4-tert-butylphenoxy)ethanoate

Systemtic Name: [2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-(4-tert-butylphenoxy)ethanoate Openeye Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxo-ethyl] 2-(4-tert-butylphenoxy)acetate CAS Name: 2-(4-tert-butylphenoxy)acetic acid [2-[2-(cyanomethylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxoethyl] 2-(4-tert-butylphenoxy)acetate Traditional Name: 2-(4-tert-butylphenoxy)acetic acid [2-[2-(cyanomethylthio)anilino]-2-keto-ethyl] ester Formula: C22H24N2O4S MolecularWeight: 412.50196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O4S/c1-22(2,3)16-8-10-17(11-9-16)27-15-21(26)28-14-20(25)24-18-6-4-5-7-19(18)29-13-12-23/h4-11H,13-15H2,1-3H3,(H,24,25)