(4R)-2-butylsulfanyl-5-ethanoyl-4-(furan-2-yl)-6-methyl-1,4-dihydropyridine-3-carbonitrile

Systemtic Name: (4R)-2-butylsulfanyl-5-ethanoyl-4-(furan-2-yl)-6-methyl-1,4-dihydropyridine-3-carbonitrile Openeye Name: (4R)-5-acetyl-2-butylsulfanyl-4-(2-furyl)-6-methyl-1,4-dihydropyridine-3-carbonitrile CAS Name: (4R)-5-acetyl-2-(butylthio)-4-(2-furanyl)-6-methyl-1,4-dihydropyridine-3-carbonitrile IUPAC Name: (4R)-5-acetyl-2-butylsulfanyl-4-(furan-2-yl)-6-methyl-1,4-dihydropyridine-3-carbonitrile Traditional Name: (4R)-5-acetyl-2-(butylthio)-4-(2-furyl)-6-methyl-1,4-dihydropyridine-3-carbonitrile Formula: C17H20N2O2S MolecularWeight: 316.4179

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=C(C(C(=C(N1)C)C(=O)C)C2=CC=CO2)C#N

Isomeric SMILES

CCCCSC1=C([C@@H](C(=C(N1)C)C(=O)C)C2=CC=CO2)C#N

InChI

InChI=1S/C17H20N2O2S/c1-4-5-9-22-17-13(10-18)16(14-7-6-8-21-14)15(12(3)20)11(2)19-17/h6-8,16,19H,4-5,9H2,1-3H3/t16-/m1/s1