3-chloranyl-2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-6-methoxy-benzoic acid

Systemtic Name: 3-chloranyl-2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-6-methoxy-benzoic acid Openeye Name: 3-chloro-2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-6-methoxy-benzoic acid CAS Name: 3-chloro-2-[(4,6-dimethoxy-2-pyrimidinyl)thio]-6-methoxybenzoic acid IUPAC Name: 3-chloro-2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-6-methoxybenzoic acid Traditional Name: 3-chloro-2-[(4,6-dimethoxypyrimidin-2-yl)thio]-6-methoxy-benzoic acid Formula: C14H13ClN2O5S MolecularWeight: 356.78142

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)Cl)SC2=NC(=CC(=N2)OC)OC)C(=O)O

Isomeric SMILES

COC1=C(C(=C(C=C1)Cl)SC2=NC(=CC(=N2)OC)OC)C(=O)O

InChI

InChI=1S/C14H13ClN2O5S/c1-20-8-5-4-7(15)12(11(8)13(18)19)23-14-16-9(21-2)6-10(17-14)22-3/h4-6H,1-3H3,(H,18,19)