2-[2-(4-bromanyl-2,6-dimethyl-phenoxy)ethanoyl]-4-methyl-1,3-thiazole-5-carboxylic acid

Systemtic Name: 2-[2-(4-bromanyl-2,6-dimethyl-phenoxy)ethanoyl]-4-methyl-1,3-thiazole-5-carboxylic acid Openeye Name: 2-[2-(4-bromo-2,6-dimethyl-phenoxy)acetyl]-4-methyl-thiazole-5-carboxylic acid CAS Name: 2-[2-(4-bromo-2,6-dimethylphenoxy)-1-oxoethyl]-4-methyl-5-thiazolecarboxylic acid IUPAC Name: 2-[2-(4-bromo-2,6-dimethylphenoxy)acetyl]-4-methyl-1,3-thiazole-5-carboxylic acid Traditional Name: 2-[2-(4-bromo-2,6-dimethyl-phenoxy)acetyl]-4-methyl-thiazole-5-carboxylic acid Formula: C15H14BrNO4S MolecularWeight: 384.24496

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OCC(=O)C2=NC(=C(S2)C(=O)O)C)C)Br

Isomeric SMILES

CC1=CC(=CC(=C1OCC(=O)C2=NC(=C(S2)C(=O)O)C)C)Br

InChI

InChI=1S/C15H14BrNO4S/c1-7-4-10(16)5-8(2)12(7)21-6-11(18)14-17-9(3)13(22-14)15(19)20/h4-5H,6H2,1-3H3,(H,19,20)