[2-[(2-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] 7-fluoranyl-3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: [2-[(2-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] 7-fluoranyl-3-methyl-1-benzofuran-2-carboxylate Openeye Name: [2-(2-methylsulfonylanilino)-2-oxo-ethyl] 7-fluoro-3-methyl-benzofuran-2-carboxylate CAS Name: 7-fluoro-3-methyl-2-benzofurancarboxylic acid [2-(2-methylsulfonylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methylsulfonylanilino)-2-oxoethyl] 7-fluoro-3-methyl-1-benzofuran-2-carboxylate Traditional Name: 7-fluoro-3-methyl-coumarilic acid [2-keto-2-(2-mesylanilino)ethyl] ester Formula: C19H16FNO6S MolecularWeight: 405.396843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=CC=C2F)C(=O)OCC(=O)NC3=CC=CC=C3S(=O)(=O)C

Isomeric SMILES

CC1=C(OC2=C1C=CC=C2F)C(=O)OCC(=O)NC3=CC=CC=C3S(=O)(=O)C

InChI

InChI=1S/C19H16FNO6S/c1-11-12-6-5-7-13(20)18(12)27-17(11)19(23)26-10-16(22)21-14-8-3-4-9-15(14)28(2,24)25/h3-9H,10H2,1-2H3,(H,21,22)