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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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