ethyl (5S)-5-cyano-4,4-dimethyl-6-oxidanylidene-5-(phenylmethyl)-2-(phenylmethylsulfanyl)-1H-pyridine-3-carboxylate

Systemtic Name: ethyl (5S)-5-cyano-4,4-dimethyl-6-oxidanylidene-5-(phenylmethyl)-2-(phenylmethylsulfanyl)-1H-pyridine-3-carboxylate Openeye Name: ethyl (5S)-5-benzyl-2-benzylsulfanyl-5-cyano-4,4-dimethyl-6-oxo-1H-pyridine-3-carboxylate CAS Name: (5S)-5-cyano-4,4-dimethyl-6-oxo-5-(phenylmethyl)-2-(phenylmethylthio)-1H-pyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl (5S)-5-benzyl-2-benzylsulfanyl-5-cyano-4,4-dimethyl-6-oxo-1H-pyridine-3-carboxylate Traditional Name: (5S)-5-benzyl-2-(benzylthio)-5-cyano-6-keto-4,4-dimethyl-1H-pyridine-3-carboxylic acid ethyl ester Formula: C25H26N2O3S MolecularWeight: 434.55054

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)C(C1(C)C)(CC2=CC=CC=C2)C#N)SCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)[C@](C1(C)C)(CC2=CC=CC=C2)C#N)SCC3=CC=CC=C3

InChI

InChI=1S/C25H26N2O3S/c1-4-30-22(28)20-21(31-16-19-13-9-6-10-14-19)27-23(29)25(17-26,24(20,2)3)15-18-11-7-5-8-12-18/h5-14H,4,15-16H2,1-3H3,(H,27,29)/t25-/m0/s1