2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxylic acid

Systemtic Name: 2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxylic acid Openeye Name: 2-[[3-(trifluoromethyl)phenyl]methyl]thiazole-4-carboxylic acid CAS Name: 2-[[3-(trifluoromethyl)phenyl]methyl]-4-thiazolecarboxylic acid IUPAC Name: 2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxylic acid Traditional Name: 2-[3-(trifluoromethyl)benzyl]thiazole-4-carboxylic acid Formula: C12H8F3NO2S MolecularWeight: 287.25763

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(F)(F)F)CC2=NC(=CS2)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)C(F)(F)F)CC2=NC(=CS2)C(=O)O

InChI

InChI=1S/C12H8F3NO2S/c13-12(14,15)8-3-1-2-7(4-8)5-10-16-9(6-19-10)11(17)18/h1-4,6H,5H2,(H,17,18)