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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NC(=CO2)CSCCC(=O)O)F

Isomeric SMILES

C1=CC(=CC=C1C2=NC(=CO2)CSCCC(=O)O)F

InChI

InChI=1S/C13H12FNO3S/c14-10-3-1-9(2-4-10)13-15-11(7-18-13)8-19-6-5-12(16)17/h1-4,7H,5-6,8H2,(H,16,17)