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

Systemtic Name: 2-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]propanoic acid Openeye Name: 2-[[2-(4-fluorophenyl)oxazol-4-yl]methylsulfanyl]propanoic acid CAS Name: 2-[[2-(4-fluorophenyl)-4-oxazolyl]methylthio]propanoic acid IUPAC Name: 2-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]propanoic acid Traditional Name: 2-[[2-(4-fluorophenyl)oxazol-4-yl]methylthio]propionic acid Formula: C13H12FNO3S MolecularWeight: 281.302683

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SCC1=COC(=N1)C2=CC=C(C=C2)F

Isomeric SMILES

CC(C(=O)O)SCC1=COC(=N1)C2=CC=C(C=C2)F

InChI

InChI=1S/C13H12FNO3S/c1-8(13(16)17)19-7-11-6-18-12(15-11)9-2-4-10(14)5-3-9/h2-6,8H,7H2,1H3,(H,16,17)