(3R,4R)-4-(2-ethoxyphenyl)-2-oxidanylidene-6-(phenylmethylsulfanyl)-3,4-dihydro-1H-pyridine-3,5-dicarbonitrile

Systemtic Name: (3R,4R)-4-(2-ethoxyphenyl)-2-oxidanylidene-6-(phenylmethylsulfanyl)-3,4-dihydro-1H-pyridine-3,5-dicarbonitrile Openeye Name: (3R,4R)-6-benzylsulfanyl-4-(2-ethoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridine-3,5-dicarbonitrile CAS Name: (3R,4R)-4-(2-ethoxyphenyl)-2-oxo-6-(phenylmethylthio)-3,4-dihydro-1H-pyridine-3,5-dicarbonitrile IUPAC Name: (3R,4R)-6-benzylsulfanyl-4-(2-ethoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridine-3,5-dicarbonitrile Traditional Name: (3R,4R)-6-(benzylthio)-2-keto-4-o-phenetyl-3,4-dihydro-1H-pyridine-3,5-dicarbonitrile Formula: C22H19N3O2S MolecularWeight: 389.47016

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C2C(C(=O)NC(=C2C#N)SCC3=CC=CC=C3)C#N

Isomeric SMILES

CCOC1=CC=CC=C1[C@H]2[C@@H](C(=O)NC(=C2C#N)SCC3=CC=CC=C3)C#N

InChI

InChI=1S/C22H19N3O2S/c1-2-27-19-11-7-6-10-16(19)20-17(12-23)21(26)25-22(18(20)13-24)28-14-15-8-4-3-5-9-15/h3-11,17,20H,2,14H2,1H3,(H,25,26)/t17-,20-/m0/s1