3-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]-4-oxidanyl-5-propyl-benzoic acid

Systemtic Name: 3-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]-4-oxidanyl-5-propyl-benzoic acid Openeye Name: 3-[2-(3,4-diethoxyphenyl)thiazol-4-yl]-4-hydroxy-5-propyl-benzoic acid CAS Name: 3-[2-(3,4-diethoxyphenyl)-4-thiazolyl]-4-hydroxy-5-propylbenzoic acid IUPAC Name: 3-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]-4-hydroxy-5-propylbenzoic acid Traditional Name: 3-[2-(3,4-diethoxyphenyl)thiazol-4-yl]-4-hydroxy-5-propyl-benzoic acid Formula: C23H25NO5S MolecularWeight: 427.5133

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=CC(=C1)C(=O)O)C2=CSC(=N2)C3=CC(=C(C=C3)OCC)OCC)O

Isomeric SMILES

CCCC1=C(C(=CC(=C1)C(=O)O)C2=CSC(=N2)C3=CC(=C(C=C3)OCC)OCC)O

InChI

InChI=1S/C23H25NO5S/c1-4-7-14-10-16(23(26)27)11-17(21(14)25)18-13-30-22(24-18)15-8-9-19(28-5-2)20(12-15)29-6-3/h8-13,25H,4-7H2,1-3H3,(H,26,27)