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

Systemtic Name: [2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-(4-bromanylphenoxy)propanoate Openeye Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxo-ethyl] 2-(4-bromophenoxy)propanoate CAS Name: 2-(4-bromophenoxy)propanoic acid [2-[2-(cyanomethylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxoethyl] 2-(4-bromophenoxy)propanoate Traditional Name: 2-(4-bromophenoxy)propionic acid [2-[2-(cyanomethylthio)anilino]-2-keto-ethyl] ester Formula: C19H17BrN2O4S MolecularWeight: 449.31828

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)NC1=CC=CC=C1SCC#N)OC2=CC=C(C=C2)Br

Isomeric SMILES

CC(C(=O)OCC(=O)NC1=CC=CC=C1SCC#N)OC2=CC=C(C=C2)Br

InChI

InChI=1S/C19H17BrN2O4S/c1-13(26-15-8-6-14(20)7-9-15)19(24)25-12-18(23)22-16-4-2-3-5-17(16)27-11-10-21/h2-9,13H,11-12H2,1H3,(H,22,23)