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

Systemtic Name: 2-[4-methyl-6-[[5-(3-methylsulfonyloxyphenyl)-1,2-oxazol-3-yl]methoxy]-1-benzothiophen-3-yl]ethanoic acid Openeye Name: 2-[4-methyl-6-[[5-(3-methylsulfonyloxyphenyl)isoxazol-3-yl]methoxy]benzothiophen-3-yl]acetic acid CAS Name: 2-[4-methyl-6-[[5-(3-methylsulfonyloxyphenyl)-3-isoxazolyl]methoxy]-1-benzothiophen-3-yl]acetic acid IUPAC Name: 2-[4-methyl-6-[[5-(3-methylsulfonyloxyphenyl)-1,2-oxazol-3-yl]methoxy]-1-benzothiophen-3-yl]acetic acid Traditional Name: 2-[4-methyl-6-[[5-(3-methylsulfonyloxyphenyl)isoxazol-3-yl]methoxy]benzothiophen-3-yl]acetic acid Formula: C22H19NO7S2 MolecularWeight: 473.51876

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC2=C1C(=CS2)CC(=O)O)OCC3=NOC(=C3)C4=CC(=CC=C4)OS(=O)(=O)C

Isomeric SMILES

CC1=CC(=CC2=C1C(=CS2)CC(=O)O)OCC3=NOC(=C3)C4=CC(=CC=C4)OS(=O)(=O)C

InChI

InChI=1S/C22H19NO7S2/c1-13-6-18(10-20-22(13)15(12-31-20)8-21(24)25)28-11-16-9-19(29-23-16)14-4-3-5-17(7-14)30-32(2,26)27/h3-7,9-10,12H,8,11H2,1-2H3,(H,24,25)