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

Systemtic Name: 4-ethyl-2-[4-[2-(4-ethylphenoxy)ethoxy]phenyl]-1,3-thiazole-5-carboxylic acid Openeye Name: 4-ethyl-2-[4-[2-(4-ethylphenoxy)ethoxy]phenyl]thiazole-5-carboxylic acid CAS Name: 4-ethyl-2-[4-[2-(4-ethylphenoxy)ethoxy]phenyl]-5-thiazolecarboxylic acid IUPAC Name: 4-ethyl-2-[4-[2-(4-ethylphenoxy)ethoxy]phenyl]-1,3-thiazole-5-carboxylic acid Traditional Name: 4-ethyl-2-[4-[2-(4-ethylphenoxy)ethoxy]phenyl]thiazole-5-carboxylic acid Formula: C22H23NO4S MolecularWeight: 397.48732

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OCCOC2=CC=C(C=C2)C3=NC(=C(S3)C(=O)O)CC

Isomeric SMILES

CCC1=CC=C(C=C1)OCCOC2=CC=C(C=C2)C3=NC(=C(S3)C(=O)O)CC

InChI

InChI=1S/C22H23NO4S/c1-3-15-5-9-17(10-6-15)26-13-14-27-18-11-7-16(8-12-18)21-23-19(4-2)20(28-21)22(24)25/h5-12H,3-4,13-14H2,1-2H3,(H,24,25)