methyl 3-bromanyl-4-[2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethoxy]benzoate

Systemtic Name: methyl 3-bromanyl-4-[2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethoxy]benzoate Openeye Name: methyl 3-bromo-4-[2-[2-(cyanomethylsulfanyl)anilino]-2-oxo-ethoxy]benzoate CAS Name: 3-bromo-4-[2-[2-(cyanomethylthio)anilino]-2-oxoethoxy]benzoic acid methyl ester IUPAC Name: methyl 3-bromo-4-[2-[2-(cyanomethylsulfanyl)anilino]-2-oxoethoxy]benzoate Traditional Name: 3-bromo-4-[2-[2-(cyanomethylthio)anilino]-2-keto-ethoxy]benzoic acid methyl ester Formula: C18H15BrN2O4S MolecularWeight: 435.2917

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15BrN2O4S/c1-24-18(23)12-6-7-15(13(19)10-12)25-11-17(22)21-14-4-2-3-5-16(14)26-9-8-20/h2-7,10H,9,11H2,1H3,(H,21,22)