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

Systemtic Name: 2-[3-[2-(3,5-dimethylphenoxy)ethoxy]phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid Openeye Name: 2-[3-[2-(3,5-dimethylphenoxy)ethoxy]phenyl]-4-methyl-thiazole-5-carboxylic acid CAS Name: 2-[3-[2-(3,5-dimethylphenoxy)ethoxy]phenyl]-4-methyl-5-thiazolecarboxylic acid IUPAC Name: 2-[3-[2-(3,5-dimethylphenoxy)ethoxy]phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid Traditional Name: 2-[3-[2-(3,5-dimethylphenoxy)ethoxy]phenyl]-4-methyl-thiazole-5-carboxylic acid Formula: C21H21NO4S MolecularWeight: 383.46074

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCCOC2=CC=CC(=C2)C3=NC(=C(S3)C(=O)O)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCCOC2=CC=CC(=C2)C3=NC(=C(S3)C(=O)O)C)C

InChI

InChI=1S/C21H21NO4S/c1-13-9-14(2)11-18(10-13)26-8-7-25-17-6-4-5-16(12-17)20-22-15(3)19(27-20)21(23)24/h4-6,9-12H,7-8H2,1-3H3,(H,23,24)