2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-6-ethanoyl-benzoic acid

Systemtic Name: 2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-6-ethanoyl-benzoic acid Openeye Name: 2-acetyl-6-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-benzoic acid CAS Name: 2-acetyl-6-[(4,6-dimethoxy-2-pyrimidinyl)thio]benzoic acid IUPAC Name: 2-acetyl-6-(4,6-dimethoxypyrimidin-2-yl)sulfanylbenzoic acid Traditional Name: 2-acetyl-6-[(4,6-dimethoxypyrimidin-2-yl)thio]benzoic acid Formula: C15H14N2O5S MolecularWeight: 334.34706

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14N2O5S/c1-8(18)9-5-4-6-10(13(9)14(19)20)23-15-16-11(21-2)7-12(17-15)22-3/h4-7H,1-3H3,(H,19,20)