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

Systemtic Name: 2-[4-[2-(4-ethylphenoxy)ethoxy]-3-methoxy-phenyl]-1,3-thiazole-4-carboxylic acid Openeye Name: 2-[4-[2-(4-ethylphenoxy)ethoxy]-3-methoxy-phenyl]thiazole-4-carboxylic acid CAS Name: 2-[4-[2-(4-ethylphenoxy)ethoxy]-3-methoxyphenyl]-4-thiazolecarboxylic acid IUPAC Name: 2-[4-[2-(4-ethylphenoxy)ethoxy]-3-methoxyphenyl]-1,3-thiazole-4-carboxylic acid Traditional Name: 2-[4-[2-(4-ethylphenoxy)ethoxy]-3-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=C(C=C2)C3=NC(=CS3)C(=O)O)OC

Isomeric SMILES

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

InChI

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