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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2=NC(=CS2)C(=O)O)OCCOC3=CC=CC(=C3)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)C2=NC(=CS2)C(=O)O)OCCOC3=CC=CC(=C3)C

InChI

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