[2-[(4-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate

Systemtic Name: [2-[(4-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate Openeye Name: [2-(4-methylsulfonylanilino)-2-oxo-ethyl] 3-(methoxymethyl)benzofuran-2-carboxylate CAS Name: 3-(methoxymethyl)-2-benzofurancarboxylic acid [2-(4-methylsulfonylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methylsulfonylanilino)-2-oxoethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate Traditional Name: 3-(methoxymethyl)coumarilic acid [2-keto-2-(4-mesylanilino)ethyl] ester Formula: C20H19NO7S MolecularWeight: 417.43236

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=C(OC2=CC=CC=C21)C(=O)OCC(=O)NC3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

COCC1=C(OC2=CC=CC=C21)C(=O)OCC(=O)NC3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C20H19NO7S/c1-26-11-16-15-5-3-4-6-17(15)28-19(16)20(23)27-12-18(22)21-13-7-9-14(10-8-13)29(2,24)25/h3-10H,11-12H2,1-2H3,(H,21,22)