2-(2-pyrimidin-2-ylsulfanylethoxy)benzoic acid

Systemtic Name: 2-(2-pyrimidin-2-ylsulfanylethoxy)benzoic acid Openeye Name: 2-(2-pyrimidin-2-ylsulfanylethoxy)benzoic acid CAS Name: 2-[2-(2-pyrimidinylthio)ethoxy]benzoic acid IUPAC Name: 2-(2-pyrimidin-2-ylsulfanylethoxy)benzoic acid Traditional Name: 2-[2-(2-pyrimidylthio)ethoxy]benzoic acid Formula: C13H12N2O3S MolecularWeight: 276.31098

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)OCCSC2=NC=CC=N2

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)OCCSC2=NC=CC=N2

InChI

InChI=1S/C13H12N2O3S/c16-12(17)10-4-1-2-5-11(10)18-8-9-19-13-14-6-3-7-15-13/h1-7H,8-9H2,(H,16,17)