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

Systemtic Name: 2-[2-[2-(3,4-dimethylphenoxy)ethoxy]phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid Openeye Name: 2-[2-[2-(3,4-dimethylphenoxy)ethoxy]phenyl]-4-methyl-thiazole-5-carboxylic acid CAS Name: 2-[2-[2-(3,4-dimethylphenoxy)ethoxy]phenyl]-4-methyl-5-thiazolecarboxylic acid IUPAC Name: 2-[2-[2-(3,4-dimethylphenoxy)ethoxy]phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid Traditional Name: 2-[2-[2-(3,4-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=C(C=C(C=C1)OCCOC2=CC=CC=C2C3=NC(=C(S3)C(=O)O)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)OCCOC2=CC=CC=C2C3=NC(=C(S3)C(=O)O)C)C

InChI

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