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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=N1)C2=C(C(=CC=C2)OC)OCCCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCC1=C(SC(=N1)C2=C(C(=CC=C2)OC)OCCCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C22H23NO4S/c1-3-17-20(22(24)25)28-21(23-17)16-12-7-13-18(26-2)19(16)27-14-8-11-15-9-5-4-6-10-15/h4-7,9-10,12-13H,3,8,11,14H2,1-2H3,(H,24,25)