2-(3-fluoranyl-4-methoxy-phenyl)-2-[4-(4-methylsulfonylphenyl)-1,2-oxazol-5-yl]ethanoic acid

Systemtic Name: 2-(3-fluoranyl-4-methoxy-phenyl)-2-[4-(4-methylsulfonylphenyl)-1,2-oxazol-5-yl]ethanoic acid Openeye Name: 2-(3-fluoro-4-methoxy-phenyl)-2-[4-(4-methylsulfonylphenyl)isoxazol-5-yl]acetic acid CAS Name: 2-(3-fluoro-4-methoxyphenyl)-2-[4-(4-methylsulfonylphenyl)-5-isoxazolyl]acetic acid IUPAC Name: 2-(3-fluoro-4-methoxyphenyl)-2-[4-(4-methylsulfonylphenyl)-1,2-oxazol-5-yl]acetic acid Traditional Name: 2-(3-fluoro-4-methoxy-phenyl)-2-[4-(4-mesylphenyl)isoxazol-5-yl]acetic acid Formula: C19H16FNO6S MolecularWeight: 405.396843

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(C2=C(C=NO2)C3=CC=C(C=C3)S(=O)(=O)C)C(=O)O)F

Isomeric SMILES

COC1=C(C=C(C=C1)C(C2=C(C=NO2)C3=CC=C(C=C3)S(=O)(=O)C)C(=O)O)F

InChI

InChI=1S/C19H16FNO6S/c1-26-16-8-5-12(9-15(16)20)17(19(22)23)18-14(10-21-27-18)11-3-6-13(7-4-11)28(2,24)25/h3-10,17H,1-2H3,(H,22,23)