5-[(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanylmethyl]furan-2-carboxylate

Systemtic Name: 5-[(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanylmethyl]furan-2-carboxylate Openeye Name: 5-[(3-cyano-4,6-dimethyl-2-pyridyl)sulfanylmethyl]furan-2-carboxylate CAS Name: 5-[[(3-cyano-4,6-dimethyl-2-pyridinyl)thio]methyl]-2-furancarboxylate IUPAC Name: 5-[(3-cyano-4,6-dimethylpyridin-2-yl)sulfanylmethyl]furan-2-carboxylate Traditional Name: 5-[[(3-cyano-4,6-dimethyl-2-pyridyl)thio]methyl]-2-furoate Formula: C14H11N2O3S- MolecularWeight: 287.31374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)SCC2=CC=C(O2)C(=O)[O-])C

Isomeric SMILES

CC1=CC(=NC(=C1C#N)SCC2=CC=C(O2)C(=O)[O-])C

InChI

InChI=1S/C14H12N2O3S/c1-8-5-9(2)16-13(11(8)6-15)20-7-10-3-4-12(19-10)14(17)18/h3-5H,7H2,1-2H3,(H,17,18)/p-1