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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC(=CS3)C(=O)O

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC(=CS3)C(=O)O

InChI

InChI=1S/C21H21NO3S/c1-2-3-4-13-25-18-11-9-16(10-12-18)15-5-7-17(8-6-15)20-22-19(14-26-20)21(23)24/h5-12,14H,2-4,13H2,1H3,(H,23,24)