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

Systemtic Name: [2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl] 5-bromanyl-2-oxidanyl-benzoate Openeye Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxo-ethyl] 5-bromo-2-hydroxy-benzoate CAS Name: 5-bromo-2-hydroxybenzoic acid [2-[2-(cyanomethylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxoethyl] 5-bromo-2-hydroxybenzoate Traditional Name: 5-bromo-2-hydroxy-benzoic acid [2-[2-(cyanomethylthio)anilino]-2-keto-ethyl] ester Formula: C17H13BrN2O4S MolecularWeight: 421.26512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13BrN2O4S/c18-11-5-6-14(21)12(9-11)17(23)24-10-16(22)20-13-3-1-2-4-15(13)25-8-7-19/h1-6,9,21H,8,10H2,(H,20,22)