[2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 5-bromanylfuran-2-carboxylate

Systemtic Name: [2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 5-bromanylfuran-2-carboxylate Openeye Name: [2-(3-methylsulfanylanilino)-2-oxo-ethyl] 5-bromofuran-2-carboxylate CAS Name: 5-bromo-2-furancarboxylic acid [2-[3-(methylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-(3-methylsulfanylanilino)-2-oxoethyl] 5-bromofuran-2-carboxylate Traditional Name: 5-bromofuran-2-carboxylic acid [2-keto-2-[3-(methylthio)anilino]ethyl] ester Formula: C14H12BrNO4S MolecularWeight: 370.21838

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)COC(=O)C2=CC=C(O2)Br

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)COC(=O)C2=CC=C(O2)Br

InChI

InChI=1S/C14H12BrNO4S/c1-21-10-4-2-3-9(7-10)16-13(17)8-19-14(18)11-5-6-12(15)20-11/h2-7H,8H2,1H3,(H,16,17)