2-[[(4S)-5-aminocarbonyl-3-cyano-4-(furan-2-yl)-6-methyl-1,4-dihydropyridin-2-yl]sulfanyl]ethanoate

Systemtic Name: 2-[[(4S)-5-aminocarbonyl-3-cyano-4-(furan-2-yl)-6-methyl-1,4-dihydropyridin-2-yl]sulfanyl]ethanoate Openeye Name: 2-[[(4S)-5-carbamoyl-3-cyano-4-(2-furyl)-6-methyl-1,4-dihydropyridin-2-yl]sulfanyl]acetate CAS Name: 2-[[(4S)-5-carbamoyl-3-cyano-4-(2-furanyl)-6-methyl-1,4-dihydropyridin-2-yl]thio]acetate IUPAC Name: 2-[[(4S)-5-carbamoyl-3-cyano-4-(furan-2-yl)-6-methyl-1,4-dihydropyridin-2-yl]sulfanyl]acetate Traditional Name: 2-[[(4S)-5-carbamoyl-3-cyano-4-(2-furyl)-6-methyl-1,4-dihydropyridin-2-yl]thio]acetate Formula: C14H12N3O4S- MolecularWeight: 318.32778

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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)N

Isomeric SMILES

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

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/h2-4,12,17H,6H2,1H3,(H2,16,20)(H,18,19)/p-1/t12-/m0/s1