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

Systemtic Name: [2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-(4-bromanylphenoxy)ethanoate Openeye Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxo-ethyl] 2-(4-bromophenoxy)acetate CAS Name: 2-(4-bromophenoxy)acetic acid [2-[2-(cyanomethylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxoethyl] 2-(4-bromophenoxy)acetate Traditional Name: 2-(4-bromophenoxy)acetic acid [2-[2-(cyanomethylthio)anilino]-2-keto-ethyl] ester Formula: C18H15BrN2O4S MolecularWeight: 435.2917

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=O)COC(=O)COC2=CC=C(C=C2)Br)SCC#N

Isomeric SMILES

C1=CC=C(C(=C1)NC(=O)COC(=O)COC2=CC=C(C=C2)Br)SCC#N

InChI

InChI=1S/C18H15BrN2O4S/c19-13-5-7-14(8-6-13)24-12-18(23)25-11-17(22)21-15-3-1-2-4-16(15)26-10-9-20/h1-8H,10-12H2,(H,21,22)