[2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-(3-methyl-4-propan-2-yl-phenoxy)ethanoate

Systemtic Name: [2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-(3-methyl-4-propan-2-yl-phenoxy)ethanoate Openeye Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxo-ethyl] 2-(4-isopropyl-3-methyl-phenoxy)acetate CAS Name: 2-(3-methyl-4-propan-2-ylphenoxy)acetic acid [2-[2-(cyanomethylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxoethyl] 2-(3-methyl-4-propan-2-ylphenoxy)acetate Traditional Name: 2-(4-isopropyl-3-methyl-phenoxy)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:

CC1=C(C=CC(=C1)OCC(=O)OCC(=O)NC2=CC=CC=C2SCC#N)C(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)OCC(=O)OCC(=O)NC2=CC=CC=C2SCC#N)C(C)C

InChI

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