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

Systemtic Name: 2-[3-cyano-4-(furan-2-yl)-6-methyl-5-(methylcarbamoyl)pyridin-2-yl]sulfanylethanoic acid Openeye Name: 2-[[3-cyano-4-(2-furyl)-6-methyl-5-(methylcarbamoyl)-2-pyridyl]sulfanyl]acetic acid CAS Name: 2-[[3-cyano-4-(2-furanyl)-6-methyl-5-(methylcarbamoyl)-2-pyridinyl]thio]acetic acid IUPAC Name: 2-[3-cyano-4-(furan-2-yl)-6-methyl-5-(methylcarbamoyl)pyridin-2-yl]sulfanylacetic acid Traditional Name: 2-[[3-cyano-4-(2-furyl)-6-methyl-5-(methylcarbamoyl)-2-pyridyl]thio]acetic acid Formula: C15H13N3O4S MolecularWeight: 331.34642

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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)