4-[2-(4-oxidanidylpyrimidin-2-yl)sulfanylethoxy]benzoate

Systemtic Name: 4-[2-(4-oxidanidylpyrimidin-2-yl)sulfanylethoxy]benzoate Openeye Name: 4-[2-(4-oxidopyrimidin-2-yl)sulfanylethoxy]benzoate CAS Name: 4-[2-[(4-oxido-2-pyrimidinyl)thio]ethoxy]benzoate IUPAC Name: 4-[2-(4-oxidopyrimidin-2-yl)sulfanylethoxy]benzoate Traditional Name: 4-[2-[(4-oxidopyrimidin-2-yl)thio]ethoxy]benzoate Formula: C13H10N2O4S-2 MolecularWeight: 290.2945

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)[O-])OCCSC2=NC=CC(=N2)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)[O-])OCCSC2=NC=CC(=N2)[O-]

InChI

InChI=1S/C13H12N2O4S/c16-11-5-6-14-13(15-11)20-8-7-19-10-3-1-9(2-4-10)12(17)18/h1-6H,7-8H2,(H,17,18)(H,14,15,16)/p-2