2-[[2-methyl-3-(2-phenethylsulfonylethyl)-1-benzofuran-7-yl]oxy]ethanoate

Systemtic Name: 2-[[2-methyl-3-(2-phenethylsulfonylethyl)-1-benzofuran-7-yl]oxy]ethanoate Openeye Name: 2-[2-methyl-3-(2-phenethylsulfonylethyl)benzofuran-7-yl]oxyacetate CAS Name: 2-[[2-methyl-3-(2-phenethylsulfonylethyl)-7-benzofuranyl]oxy]acetate IUPAC Name: 2-[[2-methyl-3-(2-phenethylsulfonylethyl)-1-benzofuran-7-yl]oxy]acetate Traditional Name: 2-[2-methyl-3-(2-phenethylsulfonylethyl)benzofuran-7-yl]oxyacetate Formula: C21H21O6S- MolecularWeight: 401.45284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(O1)C(=CC=C2)OCC(=O)[O-])CCS(=O)(=O)CCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C2=C(O1)C(=CC=C2)OCC(=O)[O-])CCS(=O)(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C21H22O6S/c1-15-17(11-13-28(24,25)12-10-16-6-3-2-4-7-16)18-8-5-9-19(21(18)27-15)26-14-20(22)23/h2-9H,10-14H2,1H3,(H,22,23)/p-1