2-[4-methyl-6-[[5-(3-methylsulfonyloxyphenyl)-1,2-oxazol-3-yl]methoxy]-1-benzofuran-3-yl]ethanoic acid

Systemtic Name: 2-[4-methyl-6-[[5-(3-methylsulfonyloxyphenyl)-1,2-oxazol-3-yl]methoxy]-1-benzofuran-3-yl]ethanoic acid Openeye Name: 2-[4-methyl-6-[[5-(3-methylsulfonyloxyphenyl)isoxazol-3-yl]methoxy]benzofuran-3-yl]acetic acid CAS Name: 2-[4-methyl-6-[[5-(3-methylsulfonyloxyphenyl)-3-isoxazolyl]methoxy]-3-benzofuranyl]acetic acid IUPAC Name: 2-[4-methyl-6-[[5-(3-methylsulfonyloxyphenyl)-1,2-oxazol-3-yl]methoxy]-1-benzofuran-3-yl]acetic acid Traditional Name: 2-[4-methyl-6-[[5-(3-methylsulfonyloxyphenyl)isoxazol-3-yl]methoxy]benzofuran-3-yl]acetic acid Formula: C22H19NO8S MolecularWeight: 457.45316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC2=C1C(=CO2)CC(=O)O)OCC3=NOC(=C3)C4=CC(=CC=C4)OS(=O)(=O)C

Isomeric SMILES

CC1=CC(=CC2=C1C(=CO2)CC(=O)O)OCC3=NOC(=C3)C4=CC(=CC=C4)OS(=O)(=O)C

InChI

InChI=1S/C22H19NO8S/c1-13-6-18(10-20-22(13)15(11-29-20)8-21(24)25)28-12-16-9-19(30-23-16)14-4-3-5-17(7-14)31-32(2,26)27/h3-7,9-11H,8,12H2,1-2H3,(H,24,25)