2-(2-methylpropyl)-1,3-thiazole-4-carboxylic acid

Systemtic Name: 2-(2-methylpropyl)-1,3-thiazole-4-carboxylic acid Openeye Name: 2-isobutylthiazole-4-carboxylic acid CAS Name: 2-(2-methylpropyl)-4-thiazolecarboxylic acid IUPAC Name: 2-(2-methylpropyl)-1,3-thiazole-4-carboxylic acid Traditional Name: 2-isobutylthiazole-4-carboxylic acid Formula: C8H11NO2S MolecularWeight: 185.24344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NC(=CS1)C(=O)O

Isomeric SMILES

CC(C)CC1=NC(=CS1)C(=O)O

InChI

InChI=1S/C8H11NO2S/c1-5(2)3-7-9-6(4-12-7)8(10)11/h4-5H,3H2,1-2H3,(H,10,11)