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

Systemtic Name: 5-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]-2-oxidanyl-3-prop-2-enyl-benzoic acid Openeye Name: 3-allyl-5-[2-(3,4-diethoxyphenyl)thiazol-4-yl]-2-hydroxy-benzoic acid CAS Name: 5-[2-(3,4-diethoxyphenyl)-4-thiazolyl]-2-hydroxy-3-prop-2-enylbenzoic acid IUPAC Name: 5-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]-2-hydroxy-3-prop-2-enylbenzoic acid Traditional Name: 3-allyl-5-[2-(3,4-diethoxyphenyl)thiazol-4-yl]-2-hydroxy-benzoic acid Formula: C23H23NO5S MolecularWeight: 425.49742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23NO5S/c1-4-7-14-10-16(11-17(21(14)25)23(26)27)18-13-30-22(24-18)15-8-9-19(28-5-2)20(12-15)29-6-3/h4,8-13,25H,1,5-7H2,2-3H3,(H,26,27)