2-[[2-methyl-3-[(phenethyloxysulfinylamino)methyl]-1-benzofuran-7-yl]oxy]ethanoic acid

Systemtic Name: 2-[[2-methyl-3-[(phenethyloxysulfinylamino)methyl]-1-benzofuran-7-yl]oxy]ethanoic acid Openeye Name: 2-[2-methyl-3-[(phenethyloxysulfinylamino)methyl]benzofuran-7-yl]oxyacetic acid CAS Name: 2-[[2-methyl-3-[(phenethyloxysulfinylamino)methyl]-7-benzofuranyl]oxy]acetic acid IUPAC Name: 2-[[2-methyl-3-[(phenethyloxysulfinylamino)methyl]-1-benzofuran-7-yl]oxy]acetic acid Traditional Name: 2-[2-methyl-3-[(phenethyloxysulfinylamino)methyl]benzofuran-7-yl]oxyacetic acid Formula: C20H21NO6S MolecularWeight: 403.44884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(O1)C(=CC=C2)OCC(=O)O)CNS(=O)OCCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C2=C(O1)C(=CC=C2)OCC(=O)O)CNS(=O)OCCC3=CC=CC=C3

InChI

InChI=1S/C20H21NO6S/c1-14-17(12-21-28(24)26-11-10-15-6-3-2-4-7-15)16-8-5-9-18(20(16)27-14)25-13-19(22)23/h2-9,21H,10-13H2,1H3,(H,22,23)