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

Systemtic Name: (4S)-5-ethanoyl-4-(furan-3-yl)-6-methyl-2-(phenylmethylsulfanyl)-1,4-dihydropyridine-3-carbonitrile Openeye Name: (4S)-5-acetyl-2-benzylsulfanyl-4-(3-furyl)-6-methyl-1,4-dihydropyridine-3-carbonitrile CAS Name: (4S)-5-acetyl-4-(3-furanyl)-6-methyl-2-(phenylmethylthio)-1,4-dihydropyridine-3-carbonitrile IUPAC Name: (4S)-5-acetyl-2-benzylsulfanyl-4-(furan-3-yl)-6-methyl-1,4-dihydropyridine-3-carbonitrile Traditional Name: (4S)-5-acetyl-2-(benzylthio)-4-(3-furyl)-6-methyl-1,4-dihydropyridine-3-carbonitrile Formula: C20H18N2O2S MolecularWeight: 350.43412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)SCC2=CC=CC=C2)C#N)C3=COC=C3)C(=O)C

Isomeric SMILES

CC1=C([C@@H](C(=C(N1)SCC2=CC=CC=C2)C#N)C3=COC=C3)C(=O)C

InChI

InChI=1S/C20H18N2O2S/c1-13-18(14(2)23)19(16-8-9-24-11-16)17(10-21)20(22-13)25-12-15-6-4-3-5-7-15/h3-9,11,19,22H,12H2,1-2H3/t19-/m1/s1