4-(2-pyridin-2-ylsulfanylethoxy)benzoic acid

Systemtic Name: 4-(2-pyridin-2-ylsulfanylethoxy)benzoic acid Openeye Name: 4-[2-(2-pyridylsulfanyl)ethoxy]benzoic acid CAS Name: 4-[2-(2-pyridinylthio)ethoxy]benzoic acid IUPAC Name: 4-(2-pyridin-2-ylsulfanylethoxy)benzoic acid Traditional Name: 4-[2-(2-pyridylthio)ethoxy]benzoic acid Formula: C14H13NO3S MolecularWeight: 275.32292

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)SCCOC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

C1=CC=NC(=C1)SCCOC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C14H13NO3S/c16-14(17)11-4-6-12(7-5-11)18-9-10-19-13-3-1-2-8-15-13/h1-8H,9-10H2,(H,16,17)