[2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-bromanyl-5-fluoranyl-benzoate

Systemtic Name: [2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-bromanyl-5-fluoranyl-benzoate Openeye Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxo-ethyl] 2-bromo-5-fluoro-benzoate CAS Name: 2-bromo-5-fluorobenzoic acid [2-[2-(cyanomethylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxoethyl] 2-bromo-5-fluorobenzoate Traditional Name: 2-bromo-5-fluoro-benzoic acid [2-[2-(cyanomethylthio)anilino]-2-keto-ethyl] ester Formula: C17H12BrFN2O3S MolecularWeight: 423.256183

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H12BrFN2O3S/c18-13-6-5-11(19)9-12(13)17(23)24-10-16(22)21-14-3-1-2-4-15(14)25-8-7-20/h1-6,9H,8,10H2,(H,21,22)