[2-[(3-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] 2-(6,7-dimethyl-1-benzofuran-3-yl)ethanoate

Systemtic Name: [2-[(3-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] 2-(6,7-dimethyl-1-benzofuran-3-yl)ethanoate Openeye Name: [2-(3-methylsulfonylanilino)-2-oxo-ethyl] 2-(6,7-dimethylbenzofuran-3-yl)acetate CAS Name: 2-(6,7-dimethyl-3-benzofuranyl)acetic acid [2-(3-methylsulfonylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylsulfonylanilino)-2-oxoethyl] 2-(6,7-dimethyl-1-benzofuran-3-yl)acetate Traditional Name: 2-(6,7-dimethylbenzofuran-3-yl)acetic acid [2-keto-2-(3-mesylanilino)ethyl] ester Formula: C21H21NO6S MolecularWeight: 415.45954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CO2)CC(=O)OCC(=O)NC3=CC(=CC=C3)S(=O)(=O)C)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CO2)CC(=O)OCC(=O)NC3=CC(=CC=C3)S(=O)(=O)C)C

InChI

InChI=1S/C21H21NO6S/c1-13-7-8-18-15(11-28-21(18)14(13)2)9-20(24)27-12-19(23)22-16-5-4-6-17(10-16)29(3,25)26/h4-8,10-11H,9,12H2,1-3H3,(H,22,23)