2-(3-ethoxy-4-phenethyloxy-phenyl)-4-ethyl-1,3-thiazole-5-carboxylic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=N1)C2=CC(=C(C=C2)OCCC3=CC=CC=C3)OCC)C(=O)O

Isomeric SMILES

CCC1=C(SC(=N1)C2=CC(=C(C=C2)OCCC3=CC=CC=C3)OCC)C(=O)O

InChI

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