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

Systemtic Name: 2-[6-[[5-(3-methylsulfonyloxyphenyl)-1,2-oxazol-3-yl]methoxy]-1-benzothiophen-3-yl]ethanoic acid Openeye Name: 2-[6-[[5-(3-methylsulfonyloxyphenyl)isoxazol-3-yl]methoxy]benzothiophen-3-yl]acetic acid CAS Name: 2-[6-[[5-(3-methylsulfonyloxyphenyl)-3-isoxazolyl]methoxy]-1-benzothiophen-3-yl]acetic acid IUPAC Name: 2-[6-[[5-(3-methylsulfonyloxyphenyl)-1,2-oxazol-3-yl]methoxy]-1-benzothiophen-3-yl]acetic acid Traditional Name: 2-[6-[[5-(3-methylsulfonyloxyphenyl)isoxazol-3-yl]methoxy]benzothiophen-3-yl]acetic acid Formula: C21H17NO7S2 MolecularWeight: 459.49218

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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(=CS4)CC(=O)O

Isomeric SMILES

CS(=O)(=O)OC1=CC=CC(=C1)C2=CC(=NO2)COC3=CC4=C(C=C3)C(=CS4)CC(=O)O

InChI

InChI=1S/C21H17NO7S2/c1-31(25,26)29-17-4-2-3-13(7-17)19-9-15(22-28-19)11-27-16-5-6-18-14(8-21(23)24)12-30-20(18)10-16/h2-7,9-10,12H,8,11H2,1H3,(H,23,24)