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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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