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

Systemtic Name: ethyl 2-methyl-5-[2-[(4-methylsulfonylphenyl)amino]-2-oxidanylidene-ethoxy]-1-benzofuran-3-carboxylate Openeye Name: ethyl 2-methyl-5-[2-(4-methylsulfonylanilino)-2-oxo-ethoxy]benzofuran-3-carboxylate CAS Name: 2-methyl-5-[2-(4-methylsulfonylanilino)-2-oxoethoxy]-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 2-methyl-5-[2-(4-methylsulfonylanilino)-2-oxoethoxy]-1-benzofuran-3-carboxylate Traditional Name: 5-[2-keto-2-(4-mesylanilino)ethoxy]-2-methyl-benzofuran-3-carboxylic acid ethyl ester Formula: C21H21NO7S MolecularWeight: 431.45894

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C1C=C(C=C2)OCC(=O)NC3=CC=C(C=C3)S(=O)(=O)C)C

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C=C(C=C2)OCC(=O)NC3=CC=C(C=C3)S(=O)(=O)C)C

InChI

InChI=1S/C21H21NO7S/c1-4-27-21(24)20-13(2)29-18-10-7-15(11-17(18)20)28-12-19(23)22-14-5-8-16(9-6-14)30(3,25)26/h5-11H,4,12H2,1-3H3,(H,22,23)