4-[5-(4-hexoxyphenyl)-1,3-thiazol-2-yl]benzoic acid

Systemtic Name: 4-[5-(4-hexoxyphenyl)-1,3-thiazol-2-yl]benzoic acid Openeye Name: 4-[5-(4-hexoxyphenyl)thiazol-2-yl]benzoic acid CAS Name: 4-[5-(4-hexoxyphenyl)-2-thiazolyl]benzoic acid IUPAC Name: 4-[5-(4-hexoxyphenyl)-1,3-thiazol-2-yl]benzoic acid Traditional Name: 4-[5-(4-hexoxyphenyl)thiazol-2-yl]benzoic acid Formula: C22H23NO3S MolecularWeight: 381.48792

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C2=CN=C(S2)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C2=CN=C(S2)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C22H23NO3S/c1-2-3-4-5-14-26-19-12-10-16(11-13-19)20-15-23-21(27-20)17-6-8-18(9-7-17)22(24)25/h6-13,15H,2-5,14H2,1H3,(H,24,25)