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

Systemtic Name: 2-[4-(3-methylbutanoylamino)phenyl]-1,3-thiazole-4-carboxylic acid Openeye Name: 2-[4-(3-methylbutanoylamino)phenyl]thiazole-4-carboxylic acid CAS Name: 2-[4-[(3-methyl-1-oxobutyl)amino]phenyl]-4-thiazolecarboxylic acid IUPAC Name: 2-[4-(3-methylbutanoylamino)phenyl]-1,3-thiazole-4-carboxylic acid Traditional Name: 2-[4-(isovalerylamino)phenyl]thiazole-4-carboxylic acid Formula: C15H16N2O3S MolecularWeight: 304.36414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=C(C=C1)C2=NC(=CS2)C(=O)O

Isomeric SMILES

CC(C)CC(=O)NC1=CC=C(C=C1)C2=NC(=CS2)C(=O)O

InChI

InChI=1S/C15H16N2O3S/c1-9(2)7-13(18)16-11-5-3-10(4-6-11)14-17-12(8-21-14)15(19)20/h3-6,8-9H,7H2,1-2H3,(H,16,18)(H,19,20)