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

Systemtic Name: 2-[3-[2-(3,5-dimethylphenoxy)ethoxy]-4-methoxy-phenyl]-1,3-thiazole-4-carboxylic acid Openeye Name: 2-[3-[2-(3,5-dimethylphenoxy)ethoxy]-4-methoxy-phenyl]thiazole-4-carboxylic acid CAS Name: 2-[3-[2-(3,5-dimethylphenoxy)ethoxy]-4-methoxyphenyl]-4-thiazolecarboxylic acid IUPAC Name: 2-[3-[2-(3,5-dimethylphenoxy)ethoxy]-4-methoxyphenyl]-1,3-thiazole-4-carboxylic acid Traditional Name: 2-[3-[2-(3,5-dimethylphenoxy)ethoxy]-4-methoxy-phenyl]thiazole-4-carboxylic acid Formula: C21H21NO5S MolecularWeight: 399.46014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCCOC2=C(C=CC(=C2)C3=NC(=CS3)C(=O)O)OC)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCCOC2=C(C=CC(=C2)C3=NC(=CS3)C(=O)O)OC)C

InChI

InChI=1S/C21H21NO5S/c1-13-8-14(2)10-16(9-13)26-6-7-27-19-11-15(4-5-18(19)25-3)20-22-17(12-28-20)21(23)24/h4-5,8-12H,6-7H2,1-3H3,(H,23,24)