2-(3-bromanyl-4,5-dimethoxy-phenyl)-1,3-thiazole-4-carboxylate

Systemtic Name: 2-(3-bromanyl-4,5-dimethoxy-phenyl)-1,3-thiazole-4-carboxylate Openeye Name: 2-(3-bromo-4,5-dimethoxy-phenyl)thiazole-4-carboxylate CAS Name: 2-(3-bromo-4,5-dimethoxyphenyl)-4-thiazolecarboxylate IUPAC Name: 2-(3-bromo-4,5-dimethoxyphenyl)-1,3-thiazole-4-carboxylate Traditional Name: 2-(3-bromo-4,5-dimethoxy-phenyl)thiazole-4-carboxylate Formula: C12H9BrNO4S- MolecularWeight: 343.17316

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C2=NC(=CS2)C(=O)[O-])Br)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)C2=NC(=CS2)C(=O)[O-])Br)OC

InChI

InChI=1S/C12H10BrNO4S/c1-17-9-4-6(3-7(13)10(9)18-2)11-14-8(5-19-11)12(15)16/h3-5H,1-2H3,(H,15,16)/p-1