(3S)-4,4-dimethyl-2-oxidanylidene-6-[(1R)-2-oxidanylidene-1-phenyl-2-piperidin-1-yl-ethyl]sulfanyl-1,3-dihydropyridine-3,5-dicarbonitrile

Systemtic Name: (3S)-4,4-dimethyl-2-oxidanylidene-6-[(1R)-2-oxidanylidene-1-phenyl-2-piperidin-1-yl-ethyl]sulfanyl-1,3-dihydropyridine-3,5-dicarbonitrile Openeye Name: (3S)-4,4-dimethyl-2-oxo-6-[(1R)-2-oxo-1-phenyl-2-(1-piperidyl)ethyl]sulfanyl-1,3-dihydropyridine-3,5-dicarbonitrile CAS Name: (3S)-4,4-dimethyl-2-oxo-6-[[(1R)-2-oxo-1-phenyl-2-(1-piperidinyl)ethyl]thio]-1,3-dihydropyridine-3,5-dicarbonitrile IUPAC Name: (3S)-4,4-dimethyl-2-oxo-6-[(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]sulfanyl-1,3-dihydropyridine-3,5-dicarbonitrile Traditional Name: (3S)-2-keto-6-[[(1R)-2-keto-1-phenyl-2-piperidino-ethyl]thio]-4,4-dimethyl-1,3-dihydropyridine-3,5-dicarbonitrile Formula: C22H24N4O2S MolecularWeight: 408.51656

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(=O)NC(=C1C#N)SC(C2=CC=CC=C2)C(=O)N3CCCCC3)C#N)C

Isomeric SMILES

CC1([C@H](C(=O)NC(=C1C#N)S[C@H](C2=CC=CC=C2)C(=O)N3CCCCC3)C#N)C

InChI

InChI=1S/C22H24N4O2S/c1-22(2)16(13-23)19(27)25-20(17(22)14-24)29-18(15-9-5-3-6-10-15)21(28)26-11-7-4-8-12-26/h3,5-6,9-10,16,18H,4,7-8,11-12H2,1-2H3,(H,25,27)/t16-,18+/m0/s1