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

Systemtic Name: 2-(3-methylbutanoylamino)-1,3-thiazole-4-carboxylic acid Openeye Name: 2-(3-methylbutanoylamino)thiazole-4-carboxylic acid CAS Name: 2-[(3-methyl-1-oxobutyl)amino]-4-thiazolecarboxylic acid IUPAC Name: 2-(3-methylbutanoylamino)-1,3-thiazole-4-carboxylic acid Traditional Name: 2-(isovalerylamino)thiazole-4-carboxylic acid Formula: C9H12N2O3S MolecularWeight: 228.26818

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=NC(=CS1)C(=O)O

Isomeric SMILES

CC(C)CC(=O)NC1=NC(=CS1)C(=O)O

InChI

InChI=1S/C9H12N2O3S/c1-5(2)3-7(12)11-9-10-6(4-15-9)8(13)14/h4-5H,3H2,1-2H3,(H,13,14)(H,10,11,12)