2-[4-[(2-tert-butyl-6-methyl-phenoxy)methyl]phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid

Systemtic Name: 2-[4-[(2-tert-butyl-6-methyl-phenoxy)methyl]phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid Openeye Name: 2-[4-[(2-tert-butyl-6-methyl-phenoxy)methyl]phenyl]-4-methyl-thiazole-5-carboxylic acid CAS Name: 2-[4-[(2-tert-butyl-6-methylphenoxy)methyl]phenyl]-4-methyl-5-thiazolecarboxylic acid IUPAC Name: 2-[4-[(2-tert-butyl-6-methylphenoxy)methyl]phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid Traditional Name: 2-[4-[(2-tert-butyl-6-methyl-phenoxy)methyl]phenyl]-4-methyl-thiazole-5-carboxylic acid Formula: C23H25NO3S MolecularWeight: 395.5145

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C(C)(C)C)OCC2=CC=C(C=C2)C3=NC(=C(S3)C(=O)O)C

Isomeric SMILES

CC1=C(C(=CC=C1)C(C)(C)C)OCC2=CC=C(C=C2)C3=NC(=C(S3)C(=O)O)C

InChI

InChI=1S/C23H25NO3S/c1-14-7-6-8-18(23(3,4)5)19(14)27-13-16-9-11-17(12-10-16)21-24-15(2)20(28-21)22(25)26/h6-12H,13H2,1-5H3,(H,25,26)