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

Systemtic Name: 5-[4-(2,3-diethoxyphenyl)-5H-1,3-thiazol-4-yl]-2,3-dimethoxy-benzoic acid Openeye Name: 5-[4-(2,3-diethoxyphenyl)-5H-thiazol-4-yl]-2,3-dimethoxy-benzoic acid CAS Name: 5-[4-(2,3-diethoxyphenyl)-5H-thiazol-4-yl]-2,3-dimethoxybenzoic acid IUPAC Name: 5-[4-(2,3-diethoxyphenyl)-5H-1,3-thiazol-4-yl]-2,3-dimethoxybenzoic acid Traditional Name: 5-[4-(2,3-diethoxyphenyl)-2-thiazolin-4-yl]-2,3-dimethoxy-benzoic acid Formula: C22H25NO6S MolecularWeight: 431.502

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1OCC)C2(CSC=N2)C3=CC(=C(C(=C3)C(=O)O)OC)OC

Isomeric SMILES

CCOC1=CC=CC(=C1OCC)C2(CSC=N2)C3=CC(=C(C(=C3)C(=O)O)OC)OC

InChI

InChI=1S/C22H25NO6S/c1-5-28-17-9-7-8-16(20(17)29-6-2)22(12-30-13-23-22)14-10-15(21(24)25)19(27-4)18(11-14)26-3/h7-11,13H,5-6,12H2,1-4H3,(H,24,25)