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

Systemtic Name: [(2S,3R,6R)-2,6-bis(1-adamantylsulfanyl)-4-tert-butyl-1-ethanoyl-3,6-dihydro-2H-pyridin-3-yl] ethanoate Openeye Name: [(2S,3R,6R)-1-acetyl-2,6-bis(1-adamantylsulfanyl)-4-tert-butyl-3,6-dihydro-2H-pyridin-3-yl] acetate CAS Name: acetic acid [(2S,3R,6R)-1-acetyl-2,6-bis(1-adamantylthio)-4-tert-butyl-3,6-dihydro-2H-pyridin-3-yl] ester IUPAC Name: [(2S,3R,6R)-1-acetyl-2,6-bis(1-adamantylsulfanyl)-4-tert-butyl-3,6-dihydro-2H-pyridin-3-yl] acetate Traditional Name: acetic acid [(2S,3R,6R)-1-acetyl-2,6-bis(1-adamantylthio)-4-tert-butyl-3,6-dihydro-2H-pyridin-3-yl] ester Formula: C33H49NO3S2 MolecularWeight: 571.87706

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C33H49NO3S2/c1-19(35)34-28(38-32-13-21-6-22(14-32)8-23(7-21)15-32)12-27(31(3,4)5)29(37-20(2)36)30(34)39-33-16-24-9-25(17-33)11-26(10-24)18-33/h12,21-26,28-30H,6-11,13-18H2,1-5H3/t21?,22?,23?,24?,25?,26?,28-,29-,30+,32?,33?/m1/s1