[2-[(4-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] 5-bromanyl-3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: [2-[(4-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] 5-bromanyl-3-methyl-1-benzofuran-2-carboxylate Openeye Name: [2-(4-methylsulfonylanilino)-2-oxo-ethyl] 5-bromo-3-methyl-benzofuran-2-carboxylate CAS Name: 5-bromo-3-methyl-2-benzofurancarboxylic acid [2-(4-methylsulfonylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methylsulfonylanilino)-2-oxoethyl] 5-bromo-3-methyl-1-benzofuran-2-carboxylate Traditional Name: 5-bromo-3-methyl-coumarilic acid [2-keto-2-(4-mesylanilino)ethyl] ester Formula: C19H16BrNO6S MolecularWeight: 466.30244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)Br)C(=O)OCC(=O)NC3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)Br)C(=O)OCC(=O)NC3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C19H16BrNO6S/c1-11-15-9-12(20)3-8-16(15)27-18(11)19(23)26-10-17(22)21-13-4-6-14(7-5-13)28(2,24)25/h3-9H,10H2,1-2H3,(H,21,22)