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

Systemtic Name: 2-[[(4R)-3-aminocarbonyl-5-cyano-4-(furan-2-yl)-2-methyl-3,4-dihydropyridin-6-yl]sulfanyl]ethanoate Openeye Name: 2-[[(4R)-3-carbamoyl-5-cyano-4-(2-furyl)-2-methyl-3,4-dihydropyridin-6-yl]sulfanyl]acetate CAS Name: 2-[[(4R)-3-carbamoyl-5-cyano-4-(2-furanyl)-2-methyl-3,4-dihydropyridin-6-yl]thio]acetate IUPAC Name: 2-[[(4R)-3-carbamoyl-5-cyano-4-(furan-2-yl)-2-methyl-3,4-dihydropyridin-6-yl]sulfanyl]acetate Traditional Name: 2-[[(4R)-3-carbamoyl-5-cyano-4-(2-furyl)-2-methyl-3,4-dihydropyridin-6-yl]thio]acetate Formula: C14H12N3O4S- MolecularWeight: 318.32778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13N3O4S/c1-7-11(13(16)20)12(9-3-2-4-21-9)8(5-15)14(17-7)22-6-10(18)19/h2-4,11-12H,6H2,1H3,(H2,16,20)(H,18,19)/p-1/t11?,12-/m1/s1