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

Systemtic Name: 2-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]-5-sulfanyl-benzoic acid Openeye Name: 2-[2-(3,4-diethoxyphenyl)thiazol-4-yl]-5-sulfanyl-benzoic acid CAS Name: 2-[2-(3,4-diethoxyphenyl)-4-thiazolyl]-5-mercaptobenzoic acid IUPAC Name: 2-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]-5-sulfanylbenzoic acid Traditional Name: 2-[2-(3,4-diethoxyphenyl)thiazol-4-yl]-5-mercapto-benzoic acid Formula: C20H19NO4S2 MolecularWeight: 401.49916

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19NO4S2/c1-3-24-17-8-5-12(9-18(17)25-4-2)19-21-16(11-27-19)14-7-6-13(26)10-15(14)20(22)23/h5-11,26H,3-4H2,1-2H3,(H,22,23)