2-[[(4R)-5-cyano-3-ethanoyl-4-(furan-2-yl)-2-methyl-3,4-dihydropyridin-6-yl]sulfanyl]ethanoate

Systemtic Name: 2-[[(4R)-5-cyano-3-ethanoyl-4-(furan-2-yl)-2-methyl-3,4-dihydropyridin-6-yl]sulfanyl]ethanoate Openeye Name: 2-[[(4R)-3-acetyl-5-cyano-4-(2-furyl)-2-methyl-3,4-dihydropyridin-6-yl]sulfanyl]acetate CAS Name: 2-[[(4R)-3-acetyl-5-cyano-4-(2-furanyl)-2-methyl-3,4-dihydropyridin-6-yl]thio]acetate IUPAC Name: 2-[[(4R)-3-acetyl-5-cyano-4-(furan-2-yl)-2-methyl-3,4-dihydropyridin-6-yl]sulfanyl]acetate Traditional Name: 2-[[(4R)-3-acetyl-5-cyano-4-(2-furyl)-2-methyl-3,4-dihydropyridin-6-yl]thio]acetate Formula: C15H13N2O4S- MolecularWeight: 317.33972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(C1C(=O)C)C2=CC=CO2)C#N)SCC(=O)[O-]

Isomeric SMILES

CC1=NC(=C([C@@H](C1C(=O)C)C2=CC=CO2)C#N)SCC(=O)[O-]

InChI

InChI=1S/C15H14N2O4S/c1-8-13(9(2)18)14(11-4-3-5-21-11)10(6-16)15(17-8)22-7-12(19)20/h3-5,13-14H,7H2,1-2H3,(H,19,20)/p-1/t13?,14-/m1/s1