[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 3,5-bis(bromanyl)-2-oxidanyl-benzoate

Systemtic Name: [2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 3,5-bis(bromanyl)-2-oxidanyl-benzoate Openeye Name: [2-(2-methylsulfanylanilino)-2-oxo-ethyl] 3,5-dibromo-2-hydroxy-benzoate CAS Name: 3,5-dibromo-2-hydroxybenzoic acid [2-[2-(methylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-(2-methylsulfanylanilino)-2-oxoethyl] 3,5-dibromo-2-hydroxybenzoate Traditional Name: 3,5-dibromo-2-hydroxy-benzoic acid [2-keto-2-[2-(methylthio)anilino]ethyl] ester Formula: C16H13Br2NO4S MolecularWeight: 475.15172

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1NC(=O)COC(=O)C2=CC(=CC(=C2O)Br)Br

Isomeric SMILES

CSC1=CC=CC=C1NC(=O)COC(=O)C2=CC(=CC(=C2O)Br)Br

InChI

InChI=1S/C16H13Br2NO4S/c1-24-13-5-3-2-4-12(13)19-14(20)8-23-16(22)10-6-9(17)7-11(18)15(10)21/h2-7,21H,8H2,1H3,(H,19,20)