2-[2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-4-methyl-1,3-thiazol-5-yl]ethanoic acid

Systemtic Name: 2-[2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-4-methyl-1,3-thiazol-5-yl]ethanoic acid Openeye Name: 2-[2-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-4-methyl-thiazol-5-yl]acetic acid CAS Name: 2-[2-[(2-chloro-6-fluorophenyl)methylthio]-4-methyl-5-thiazolyl]acetic acid IUPAC Name: 2-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4-methyl-1,3-thiazol-5-yl]acetic acid Traditional Name: 2-[2-[(2-chloro-6-fluoro-benzyl)thio]-4-methyl-thiazol-5-yl]acetic acid Formula: C13H11ClFNO2S2 MolecularWeight: 331.813343

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)SCC2=C(C=CC=C2Cl)F)CC(=O)O

Isomeric SMILES

CC1=C(SC(=N1)SCC2=C(C=CC=C2Cl)F)CC(=O)O

InChI

InChI=1S/C13H11ClFNO2S2/c1-7-11(5-12(17)18)20-13(16-7)19-6-8-9(14)3-2-4-10(8)15/h2-4H,5-6H2,1H3,(H,17,18)