1-[(2S,3R,6R)-2,6-bis(1-adamantylsulfanyl)-4-tert-butyl-3-oxidanyl-3,6-dihydro-2H-pyridin-1-yl]ethanone

Systemtic Name: 1-[(2S,3R,6R)-2,6-bis(1-adamantylsulfanyl)-4-tert-butyl-3-oxidanyl-3,6-dihydro-2H-pyridin-1-yl]ethanone Openeye Name: 1-[(2S,3R,6R)-2,6-bis(1-adamantylsulfanyl)-4-tert-butyl-3-hydroxy-3,6-dihydro-2H-pyridin-1-yl]ethanone CAS Name: 1-[(2S,3R,6R)-2,6-bis(1-adamantylthio)-4-tert-butyl-3-hydroxy-3,6-dihydro-2H-pyridin-1-yl]ethanone IUPAC Name: 1-[(2S,3R,6R)-2,6-bis(1-adamantylsulfanyl)-4-tert-butyl-3-hydroxy-3,6-dihydro-2H-pyridin-1-yl]ethanone Traditional Name: 1-[(2S,3R,6R)-2,6-bis(1-adamantylthio)-4-tert-butyl-3-hydroxy-3,6-dihydro-2H-pyridin-1-yl]ethanone Formula: C31H47NO2S2 MolecularWeight: 529.84038

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(C=C(C(C1SC23CC4CC(C2)CC(C4)C3)O)C(C)(C)C)SC56CC7CC(C5)CC(C7)C6

Isomeric SMILES

CC(=O)N1[C@@H](C=C([C@H]([C@@H]1SC23CC4CC(C2)CC(C4)C3)O)C(C)(C)C)SC56CC7CC(C5)CC(C7)C6

InChI

InChI=1S/C31H47NO2S2/c1-18(33)32-26(35-30-12-19-5-20(13-30)7-21(6-19)14-30)11-25(29(2,3)4)27(34)28(32)36-31-15-22-8-23(16-31)10-24(9-22)17-31/h11,19-24,26-28,34H,5-10,12-17H2,1-4H3/t19?,20?,21?,22?,23?,24?,26-,27-,28+,30?,31?/m1/s1