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

Systemtic Name: 2-[[3-[(phenethyloxysulfinylamino)methyl]-2-propan-2-yl-1-benzofuran-7-yl]oxy]ethanoic acid Openeye Name: 2-[2-isopropyl-3-[(phenethyloxysulfinylamino)methyl]benzofuran-7-yl]oxyacetic acid CAS Name: 2-[[3-[(phenethyloxysulfinylamino)methyl]-2-propan-2-yl-7-benzofuranyl]oxy]acetic acid IUPAC Name: 2-[[3-[(phenethyloxysulfinylamino)methyl]-2-propan-2-yl-1-benzofuran-7-yl]oxy]acetic acid Traditional Name: 2-[2-isopropyl-3-[(phenethyloxysulfinylamino)methyl]benzofuran-7-yl]oxyacetic acid Formula: C22H25NO6S MolecularWeight: 431.502

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C2=C(O1)C(=CC=C2)OCC(=O)O)CNS(=O)OCCC3=CC=CC=C3

Isomeric SMILES

CC(C)C1=C(C2=C(O1)C(=CC=C2)OCC(=O)O)CNS(=O)OCCC3=CC=CC=C3

InChI

InChI=1S/C22H25NO6S/c1-15(2)21-18(13-23-30(26)28-12-11-16-7-4-3-5-8-16)17-9-6-10-19(22(17)29-21)27-14-20(24)25/h3-10,15,23H,11-14H2,1-2H3,(H,24,25)