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

Systemtic Name: 4-methyl-2-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]-1,3-thiazole-5-carboxylic acid Openeye Name: 4-methyl-2-[[4-(1-methyl-1-phenyl-ethyl)phenoxy]methyl]thiazole-5-carboxylic acid CAS Name: 4-methyl-2-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]-5-thiazolecarboxylic acid IUPAC Name: 4-methyl-2-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]-1,3-thiazole-5-carboxylic acid Traditional Name: 2-[(4-cumylphenoxy)methyl]-4-methyl-thiazole-5-carboxylic acid Formula: C21H21NO3S MolecularWeight: 367.46134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21NO3S/c1-14-19(20(23)24)26-18(22-14)13-25-17-11-9-16(10-12-17)21(2,3)15-7-5-4-6-8-15/h4-12H,13H2,1-3H3,(H,23,24)