2-[3-cyano-4-(furan-2-yl)-6-methyl-5-(methylcarbamoyl)pyridin-2-yl]sulfanylethanoate

Systemtic Name: 2-[3-cyano-4-(furan-2-yl)-6-methyl-5-(methylcarbamoyl)pyridin-2-yl]sulfanylethanoate Openeye Name: 2-[[3-cyano-4-(2-furyl)-6-methyl-5-(methylcarbamoyl)-2-pyridyl]sulfanyl]acetate CAS Name: 2-[[3-cyano-4-(2-furanyl)-6-methyl-5-(methylcarbamoyl)-2-pyridinyl]thio]acetate IUPAC Name: 2-[3-cyano-4-(furan-2-yl)-6-methyl-5-(methylcarbamoyl)pyridin-2-yl]sulfanylacetate Traditional Name: 2-[[3-cyano-4-(2-furyl)-6-methyl-5-(methylcarbamoyl)-2-pyridyl]thio]acetate Formula: C15H12N3O4S- MolecularWeight: 330.33848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=N1)SCC(=O)[O-])C#N)C2=CC=CO2)C(=O)NC

Isomeric SMILES

CC1=C(C(=C(C(=N1)SCC(=O)[O-])C#N)C2=CC=CO2)C(=O)NC

InChI

InChI=1S/C15H13N3O4S/c1-8-12(14(21)17-2)13(10-4-3-5-22-10)9(6-16)15(18-8)23-7-11(19)20/h3-5H,7H2,1-2H3,(H,17,21)(H,19,20)/p-1