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

Systemtic Name: 4-ethyl-2-[3-(3-phenylpropoxy)phenyl]-1,3-thiazole-5-carboxylic acid Openeye Name: 4-ethyl-2-[3-(3-phenylpropoxy)phenyl]thiazole-5-carboxylic acid CAS Name: 4-ethyl-2-[3-(3-phenylpropoxy)phenyl]-5-thiazolecarboxylic acid IUPAC Name: 4-ethyl-2-[3-(3-phenylpropoxy)phenyl]-1,3-thiazole-5-carboxylic acid Traditional Name: 4-ethyl-2-[3-(3-phenylpropoxy)phenyl]thiazole-5-carboxylic acid Formula: C21H21NO3S MolecularWeight: 367.46134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21NO3S/c1-2-18-19(21(23)24)26-20(22-18)16-11-6-12-17(14-16)25-13-7-10-15-8-4-3-5-9-15/h3-6,8-9,11-12,14H,2,7,10,13H2,1H3,(H,23,24)