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

Systemtic Name: 4-methyl-2-[2-[4-(2-phenylpropan-2-yl)phenoxy]ethanoyl]-1,3-thiazole-5-carboxylic acid Openeye Name: 4-methyl-2-[2-[4-(1-methyl-1-phenyl-ethyl)phenoxy]acetyl]thiazole-5-carboxylic acid CAS Name: 4-methyl-2-[1-oxo-2-[4-(2-phenylpropan-2-yl)phenoxy]ethyl]-5-thiazolecarboxylic acid IUPAC Name: 4-methyl-2-[2-[4-(2-phenylpropan-2-yl)phenoxy]acetyl]-1,3-thiazole-5-carboxylic acid Traditional Name: 2-[2-(4-cumylphenoxy)acetyl]-4-methyl-thiazole-5-carboxylic acid Formula: C22H21NO4S MolecularWeight: 395.47144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C(=O)COC2=CC=C(C=C2)C(C)(C)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC1=C(SC(=N1)C(=O)COC2=CC=C(C=C2)C(C)(C)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C22H21NO4S/c1-14-19(21(25)26)28-20(23-14)18(24)13-27-17-11-9-16(10-12-17)22(2,3)15-7-5-4-6-8-15/h4-12H,13H2,1-3H3,(H,25,26)