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

Systemtic Name: 2-[3-ethoxy-4-(3-phenylpropoxy)phenyl]-1,3-thiazole-4-carboxylic acid Openeye Name: 2-[3-ethoxy-4-(3-phenylpropoxy)phenyl]thiazole-4-carboxylic acid CAS Name: 2-[3-ethoxy-4-(3-phenylpropoxy)phenyl]-4-thiazolecarboxylic acid IUPAC Name: 2-[3-ethoxy-4-(3-phenylpropoxy)phenyl]-1,3-thiazole-4-carboxylic acid Traditional Name: 2-[3-ethoxy-4-(3-phenylpropoxy)phenyl]thiazole-4-carboxylic acid Formula: C21H21NO4S MolecularWeight: 383.46074

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2=NC(=CS2)C(=O)O)OCCCC3=CC=CC=C3

Isomeric SMILES

CCOC1=C(C=CC(=C1)C2=NC(=CS2)C(=O)O)OCCCC3=CC=CC=C3

InChI

InChI=1S/C21H21NO4S/c1-2-25-19-13-16(20-22-17(14-27-20)21(23)24)10-11-18(19)26-12-6-9-15-7-4-3-5-8-15/h3-5,7-8,10-11,13-14H,2,6,9,12H2,1H3,(H,23,24)