4-methyl-2-[[4-(2-methylbutan-2-yl)phenoxy]methyl]-1,3-thiazole-5-carboxylic acid

Systemtic Name: 4-methyl-2-[[4-(2-methylbutan-2-yl)phenoxy]methyl]-1,3-thiazole-5-carboxylic acid Openeye Name: 2-[[4-(1,1-dimethylpropyl)phenoxy]methyl]-4-methyl-thiazole-5-carboxylic acid CAS Name: 4-methyl-2-[[4-(2-methylbutan-2-yl)phenoxy]methyl]-5-thiazolecarboxylic acid IUPAC Name: 4-methyl-2-[[4-(2-methylbutan-2-yl)phenoxy]methyl]-1,3-thiazole-5-carboxylic acid Traditional Name: 2-[(4-tert-amylphenoxy)methyl]-4-methyl-thiazole-5-carboxylic acid Formula: C17H21NO3S MolecularWeight: 319.41854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC=C(C=C1)OCC2=NC(=C(S2)C(=O)O)C

Isomeric SMILES

CCC(C)(C)C1=CC=C(C=C1)OCC2=NC(=C(S2)C(=O)O)C

InChI

InChI=1S/C17H21NO3S/c1-5-17(3,4)12-6-8-13(9-7-12)21-10-14-18-11(2)15(22-14)16(19)20/h6-9H,5,10H2,1-4H3,(H,19,20)