3-[4-(4-fluoranyl-3-methyl-phenyl)-1,3-thiazol-2-yl]propanoic acid

Systemtic Name: 3-[4-(4-fluoranyl-3-methyl-phenyl)-1,3-thiazol-2-yl]propanoic acid Openeye Name: 3-[4-(4-fluoro-3-methyl-phenyl)thiazol-2-yl]propanoic acid CAS Name: 3-[4-(4-fluoro-3-methylphenyl)-2-thiazolyl]propanoic acid IUPAC Name: 3-[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]propanoic acid Traditional Name: 3-[4-(4-fluoro-3-methyl-phenyl)thiazol-2-yl]propionic acid Formula: C13H12FNO2S MolecularWeight: 265.303283

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=CSC(=N2)CCC(=O)O)F

Isomeric SMILES

CC1=C(C=CC(=C1)C2=CSC(=N2)CCC(=O)O)F

InChI

InChI=1S/C13H12FNO2S/c1-8-6-9(2-3-10(8)14)11-7-18-12(15-11)4-5-13(16)17/h2-3,6-7H,4-5H2,1H3,(H,16,17)