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

Systemtic Name: 4-methyl-2-[4-[(2,3,6-trimethylphenoxy)methyl]phenyl]-1,3-thiazole-5-carboxylic acid Openeye Name: 4-methyl-2-[4-[(2,3,6-trimethylphenoxy)methyl]phenyl]thiazole-5-carboxylic acid CAS Name: 4-methyl-2-[4-[(2,3,6-trimethylphenoxy)methyl]phenyl]-5-thiazolecarboxylic acid IUPAC Name: 4-methyl-2-[4-[(2,3,6-trimethylphenoxy)methyl]phenyl]-1,3-thiazole-5-carboxylic acid Traditional Name: 4-methyl-2-[4-[(2,3,6-trimethylphenoxy)methyl]phenyl]thiazole-5-carboxylic acid Formula: C21H21NO3S MolecularWeight: 367.46134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21NO3S/c1-12-5-6-13(2)18(14(12)3)25-11-16-7-9-17(10-8-16)20-22-15(4)19(26-20)21(23)24/h5-10H,11H2,1-4H3,(H,23,24)