2-[1-(3-methylbutanoyl)piperidin-4-yl]-1,3-thiazole-4-carboxylic acid

Systemtic Name: 2-[1-(3-methylbutanoyl)piperidin-4-yl]-1,3-thiazole-4-carboxylic acid Openeye Name: 2-[1-(3-methylbutanoyl)-4-piperidyl]thiazole-4-carboxylic acid CAS Name: 2-[1-(3-methyl-1-oxobutyl)-4-piperidinyl]-4-thiazolecarboxylic acid IUPAC Name: 2-[1-(3-methylbutanoyl)piperidin-4-yl]-1,3-thiazole-4-carboxylic acid Traditional Name: 2-(1-isovaleryl-4-piperidyl)thiazole-4-carboxylic acid Formula: C14H20N2O3S MolecularWeight: 296.3852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N1CCC(CC1)C2=NC(=CS2)C(=O)O

Isomeric SMILES

CC(C)CC(=O)N1CCC(CC1)C2=NC(=CS2)C(=O)O

InChI

InChI=1S/C14H20N2O3S/c1-9(2)7-12(17)16-5-3-10(4-6-16)13-15-11(8-20-13)14(18)19/h8-10H,3-7H2,1-2H3,(H,18,19)