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

Systemtic Name: 4-ethyl-2-[3-methoxy-4-(2-phenoxyethoxy)phenyl]-1,3-thiazole-5-carboxylic acid Openeye Name: 4-ethyl-2-[3-methoxy-4-(2-phenoxyethoxy)phenyl]thiazole-5-carboxylic acid CAS Name: 4-ethyl-2-[3-methoxy-4-(2-phenoxyethoxy)phenyl]-5-thiazolecarboxylic acid IUPAC Name: 4-ethyl-2-[3-methoxy-4-(2-phenoxyethoxy)phenyl]-1,3-thiazole-5-carboxylic acid Traditional Name: 4-ethyl-2-[3-methoxy-4-(2-phenoxyethoxy)phenyl]thiazole-5-carboxylic acid Formula: C21H21NO5S MolecularWeight: 399.46014

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=N1)C2=CC(=C(C=C2)OCCOC3=CC=CC=C3)OC)C(=O)O

Isomeric SMILES

CCC1=C(SC(=N1)C2=CC(=C(C=C2)OCCOC3=CC=CC=C3)OC)C(=O)O

InChI

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