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

Systemtic Name: 5-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]-2-methoxy-3-(methylsulfanylmethyl)benzoic acid Openeye Name: 5-[2-(3,4-diethoxyphenyl)thiazol-4-yl]-2-methoxy-3-(methylsulfanylmethyl)benzoic acid CAS Name: 5-[2-(3,4-diethoxyphenyl)-4-thiazolyl]-2-methoxy-3-[(methylthio)methyl]benzoic acid IUPAC Name: 5-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]-2-methoxy-3-(methylsulfanylmethyl)benzoic acid Traditional Name: 5-[2-(3,4-diethoxyphenyl)thiazol-4-yl]-2-methoxy-3-[(methylthio)methyl]benzoic acid Formula: C23H25NO5S2 MolecularWeight: 459.5783

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25NO5S2/c1-5-28-19-8-7-14(11-20(19)29-6-2)22-24-18(13-31-22)15-9-16(12-30-4)21(27-3)17(10-15)23(25)26/h7-11,13H,5-6,12H2,1-4H3,(H,25,26)