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

Systemtic Name: 2-[6-[[5-(3-methylsulfonyloxyphenyl)-1,2-oxazol-3-yl]methoxy]-1-benzofuran-3-yl]ethanoic acid Openeye Name: 2-[6-[[5-(3-methylsulfonyloxyphenyl)isoxazol-3-yl]methoxy]benzofuran-3-yl]acetic acid CAS Name: 2-[6-[[5-(3-methylsulfonyloxyphenyl)-3-isoxazolyl]methoxy]-3-benzofuranyl]acetic acid IUPAC Name: 2-[6-[[5-(3-methylsulfonyloxyphenyl)-1,2-oxazol-3-yl]methoxy]-1-benzofuran-3-yl]acetic acid Traditional Name: 2-[6-[[5-(3-methylsulfonyloxyphenyl)isoxazol-3-yl]methoxy]benzofuran-3-yl]acetic acid Formula: C21H17NO8S MolecularWeight: 443.42658

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1=CC=CC(=C1)C2=CC(=NO2)COC3=CC4=C(C=C3)C(=CO4)CC(=O)O

Isomeric SMILES

CS(=O)(=O)OC1=CC=CC(=C1)C2=CC(=NO2)COC3=CC4=C(C=C3)C(=CO4)CC(=O)O

InChI

InChI=1S/C21H17NO8S/c1-31(25,26)30-17-4-2-3-13(7-17)19-9-15(22-29-19)12-27-16-5-6-18-14(8-21(23)24)11-28-20(18)10-16/h2-7,9-11H,8,12H2,1H3,(H,23,24)