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

Systemtic Name: 2-[[(4R)-3-cyano-5-ethoxycarbonyl-4-(furan-2-yl)-6-methyl-1,4-dihydropyridin-2-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[(4R)-3-cyano-5-ethoxycarbonyl-4-(2-furyl)-6-methyl-1,4-dihydropyridin-2-yl]sulfanyl]acetic acid CAS Name: 2-[[(4R)-3-cyano-5-ethoxycarbonyl-4-(2-furanyl)-6-methyl-1,4-dihydropyridin-2-yl]thio]acetic acid IUPAC Name: 2-[[(4R)-3-cyano-5-ethoxycarbonyl-4-(furan-2-yl)-6-methyl-1,4-dihydropyridin-2-yl]sulfanyl]acetic acid Traditional Name: 2-[[(4R)-5-carbethoxy-3-cyano-4-(2-furyl)-6-methyl-1,4-dihydropyridin-2-yl]thio]acetic acid Formula: C16H16N2O5S MolecularWeight: 348.37364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=CC=CO2)C#N)SCC(=O)O)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C([C@@H]1C2=CC=CO2)C#N)SCC(=O)O)C

InChI

InChI=1S/C16H16N2O5S/c1-3-22-16(21)13-9(2)18-15(24-8-12(19)20)10(7-17)14(13)11-5-4-6-23-11/h4-6,14,18H,3,8H2,1-2H3,(H,19,20)/t14-/m1/s1