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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OCCOC2=C(C=CC(=C2)OC)C3=NC(=CS3)C(=O)O

Isomeric SMILES

CCC1=CC=C(C=C1)OCCOC2=C(C=CC(=C2)OC)C3=NC(=CS3)C(=O)O

InChI

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