[2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-bromanylbenzoate

Systemtic Name: [2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-bromanylbenzoate Openeye Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxo-ethyl] 2-bromobenzoate CAS Name: 2-bromobenzoic acid [2-[2-(cyanomethylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxoethyl] 2-bromobenzoate Traditional Name: 2-bromobenzoic acid [2-[2-(cyanomethylthio)anilino]-2-keto-ethyl] ester Formula: C17H13BrN2O3S MolecularWeight: 405.26572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13BrN2O3S/c18-13-6-2-1-5-12(13)17(22)23-11-16(21)20-14-7-3-4-8-15(14)24-10-9-19/h1-8H,10-11H2,(H,20,21)