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

Systemtic Name: 3-bromanyl-5-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]-2-oxidanyl-benzoic acid Openeye Name: 3-bromo-5-[2-(3,4-diethoxyphenyl)thiazol-4-yl]-2-hydroxy-benzoic acid CAS Name: 3-bromo-5-[2-(3,4-diethoxyphenyl)-4-thiazolyl]-2-hydroxybenzoic acid IUPAC Name: 3-bromo-5-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]-2-hydroxybenzoic acid Traditional Name: 3-bromo-5-[2-(3,4-diethoxyphenyl)thiazol-4-yl]-2-hydroxy-benzoic acid Formula: C20H18BrNO5S MolecularWeight: 464.32962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18BrNO5S/c1-3-26-16-6-5-11(9-17(16)27-4-2)19-22-15(10-28-19)12-7-13(20(24)25)18(23)14(21)8-12/h5-10,23H,3-4H2,1-2H3,(H,24,25)