2-chloranyl-6-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-benzoate

Systemtic Name: 2-chloranyl-6-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-benzoate Openeye Name: 2-chloro-6-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-benzoate CAS Name: 2-chloro-6-[(4,6-dimethoxy-2-pyrimidinyl)thio]benzoate IUPAC Name: 2-chloro-6-(4,6-dimethoxypyrimidin-2-yl)sulfanylbenzoate Traditional Name: 2-chloro-6-[(4,6-dimethoxypyrimidin-2-yl)thio]benzoate Formula: C13H10ClN2O4S- MolecularWeight: 325.7475

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC(=N1)SC2=C(C(=CC=C2)Cl)C(=O)[O-])OC

Isomeric SMILES

COC1=CC(=NC(=N1)SC2=C(C(=CC=C2)Cl)C(=O)[O-])OC

InChI

InChI=1S/C13H11ClN2O4S/c1-19-9-6-10(20-2)16-13(15-9)21-8-5-3-4-7(14)11(8)12(17)18/h3-6H,1-2H3,(H,17,18)/p-1