4-[4-(4-butylphenyl)-1,3-thiazol-2-yl]benzoic acid

Systemtic Name: 4-[4-(4-butylphenyl)-1,3-thiazol-2-yl]benzoic acid Openeye Name: 4-[4-(4-butylphenyl)thiazol-2-yl]benzoic acid CAS Name: 4-[4-(4-butylphenyl)-2-thiazolyl]benzoic acid IUPAC Name: 4-[4-(4-butylphenyl)-1,3-thiazol-2-yl]benzoic acid Traditional Name: 4-[4-(4-butylphenyl)thiazol-2-yl]benzoic acid Formula: C20H19NO2S MolecularWeight: 337.43536

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C2=CSC(=N2)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CCCCC1=CC=C(C=C1)C2=CSC(=N2)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C20H19NO2S/c1-2-3-4-14-5-7-15(8-6-14)18-13-24-19(21-18)16-9-11-17(12-10-16)20(22)23/h5-13H,2-4H2,1H3,(H,22,23)