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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=CC(=C1O)C(=O)O)C2=CSC(=N2)C3=CC(=C(C=C3)OCC)OCC

Isomeric SMILES

CCCC1=CC(=CC(=C1O)C(=O)O)C2=CSC(=N2)C3=CC(=C(C=C3)OCC)OCC

InChI

InChI=1S/C23H25NO5S/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/h8-13,25H,4-7H2,1-3H3,(H,26,27)