[2-oxidanylidene-2-[(2-prop-2-enylsulfanylphenyl)amino]ethyl] 2-bromanyl-5-methoxy-benzoate

Systemtic Name: [2-oxidanylidene-2-[(2-prop-2-enylsulfanylphenyl)amino]ethyl] 2-bromanyl-5-methoxy-benzoate Openeye Name: [2-(2-allylsulfanylanilino)-2-oxo-ethyl] 2-bromo-5-methoxy-benzoate CAS Name: 2-bromo-5-methoxybenzoic acid [2-oxo-2-[2-(prop-2-enylthio)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(2-prop-2-enylsulfanylanilino)ethyl] 2-bromo-5-methoxybenzoate Traditional Name: 2-bromo-5-methoxy-benzoic acid [2-[2-(allylthio)anilino]-2-keto-ethyl] ester Formula: C19H18BrNO4S MolecularWeight: 436.31952

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)Br)C(=O)OCC(=O)NC2=CC=CC=C2SCC=C

Isomeric SMILES

COC1=CC(=C(C=C1)Br)C(=O)OCC(=O)NC2=CC=CC=C2SCC=C

InChI

InChI=1S/C19H18BrNO4S/c1-3-10-26-17-7-5-4-6-16(17)21-18(22)12-25-19(23)14-11-13(24-2)8-9-15(14)20/h3-9,11H,1,10,12H2,2H3,(H,21,22)