2-[[(4S)-3-cyano-5-ethanoyl-4-(furan-2-yl)-6-methyl-1,4-dihydropyridin-2-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[(4S)-3-cyano-5-ethanoyl-4-(furan-2-yl)-6-methyl-1,4-dihydropyridin-2-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[(4S)-5-acetyl-3-cyano-4-(2-furyl)-6-methyl-1,4-dihydropyridin-2-yl]sulfanyl]acetic acid CAS Name: 2-[[(4S)-5-acetyl-3-cyano-4-(2-furanyl)-6-methyl-1,4-dihydropyridin-2-yl]thio]acetic acid IUPAC Name: 2-[[(4S)-5-acetyl-3-cyano-4-(furan-2-yl)-6-methyl-1,4-dihydropyridin-2-yl]sulfanyl]acetic acid Traditional Name: 2-[[(4S)-5-acetyl-3-cyano-4-(2-furyl)-6-methyl-1,4-dihydropyridin-2-yl]thio]acetic acid Formula: C15H14N2O4S MolecularWeight: 318.34766

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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)C

Isomeric SMILES

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

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/h3-5,14,17H,7H2,1-2H3,(H,19,20)/t14-/m0/s1