3-[4-[3-(4-fluorophenyl)-4-methylsulfonyl-phenyl]-1,3-oxazol-2-yl]propanoic acid

Systemtic Name: 3-[4-[3-(4-fluorophenyl)-4-methylsulfonyl-phenyl]-1,3-oxazol-2-yl]propanoic acid Openeye Name: 3-[4-[3-(4-fluorophenyl)-4-methylsulfonyl-phenyl]oxazol-2-yl]propanoic acid CAS Name: 3-[4-[3-(4-fluorophenyl)-4-methylsulfonylphenyl]-2-oxazolyl]propanoic acid IUPAC Name: 3-[4-[3-(4-fluorophenyl)-4-methylsulfonylphenyl]-1,3-oxazol-2-yl]propanoic acid Traditional Name: 3-[4-[3-(4-fluorophenyl)-4-mesyl-phenyl]oxazol-2-yl]propionic acid Formula: C19H16FNO5S MolecularWeight: 389.397443

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=C(C=C1)C2=COC(=N2)CCC(=O)O)C3=CC=C(C=C3)F

Isomeric SMILES

CS(=O)(=O)C1=C(C=C(C=C1)C2=COC(=N2)CCC(=O)O)C3=CC=C(C=C3)F

InChI

InChI=1S/C19H16FNO5S/c1-27(24,25)17-7-4-13(10-15(17)12-2-5-14(20)6-3-12)16-11-26-18(21-16)8-9-19(22)23/h2-7,10-11H,8-9H2,1H3,(H,22,23)