5-methyl-2-[(4-methylphenyl)methyl]-1,3-thiazole-4-carboxylic acid

Systemtic Name: 5-methyl-2-[(4-methylphenyl)methyl]-1,3-thiazole-4-carboxylic acid Openeye Name: 5-methyl-2-(p-tolylmethyl)thiazole-4-carboxylic acid CAS Name: 5-methyl-2-[(4-methylphenyl)methyl]-4-thiazolecarboxylic acid IUPAC Name: 5-methyl-2-[(4-methylphenyl)methyl]-1,3-thiazole-4-carboxylic acid Traditional Name: 5-methyl-2-(4-methylbenzyl)thiazole-4-carboxylic acid Formula: C13H13NO2S MolecularWeight: 247.31282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC2=NC(=C(S2)C)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)CC2=NC(=C(S2)C)C(=O)O

InChI

InChI=1S/C13H13NO2S/c1-8-3-5-10(6-4-8)7-11-14-12(13(15)16)9(2)17-11/h3-6H,7H2,1-2H3,(H,15,16)