(2R)-2-(3-cyanopyridin-2-yl)sulfanyl-2-phenyl-ethanoate

Systemtic Name: (2R)-2-(3-cyanopyridin-2-yl)sulfanyl-2-phenyl-ethanoate Openeye Name: (2R)-2-[(3-cyano-2-pyridyl)sulfanyl]-2-phenyl-acetate CAS Name: (2R)-2-[(3-cyano-2-pyridinyl)thio]-2-phenylacetate IUPAC Name: (2R)-2-(3-cyanopyridin-2-yl)sulfanyl-2-phenylacetate Traditional Name: (2R)-2-[(3-cyano-2-pyridyl)thio]-2-phenyl-acetate Formula: C14H9N2O2S- MolecularWeight: 269.29846

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)[O-])SC2=C(C=CC=N2)C#N

Isomeric SMILES

C1=CC=C(C=C1)[C@H](C(=O)[O-])SC2=C(C=CC=N2)C#N

InChI

InChI=1S/C14H10N2O2S/c15-9-11-7-4-8-16-13(11)19-12(14(17)18)10-5-2-1-3-6-10/h1-8,12H,(H,17,18)/p-1/t12-/m1/s1