2-[(2-chloranyl-4-fluoranyl-phenyl)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid

Systemtic Name: 2-[(2-chloranyl-4-fluoranyl-phenyl)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid Openeye Name: 2-[(2-chloro-4-fluoro-phenyl)methyl]-4-methyl-thiazole-5-carboxylic acid CAS Name: 2-[(2-chloro-4-fluorophenyl)methyl]-4-methyl-5-thiazolecarboxylic acid IUPAC Name: 2-[(2-chloro-4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid Traditional Name: 2-(2-chloro-4-fluoro-benzyl)-4-methyl-thiazole-5-carboxylic acid Formula: C12H9ClFNO2S MolecularWeight: 285.721763

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)CC2=C(C=C(C=C2)F)Cl)C(=O)O

Isomeric SMILES

CC1=C(SC(=N1)CC2=C(C=C(C=C2)F)Cl)C(=O)O

InChI

InChI=1S/C12H9ClFNO2S/c1-6-11(12(16)17)18-10(15-6)4-7-2-3-8(14)5-9(7)13/h2-3,5H,4H2,1H3,(H,16,17)