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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(C=C(C(C1OC(=O)C)SC23CC4CC(C2)CC(C4)C3)C(C)(C)C)SC56CC7CC(C5)CC(C7)C6

Isomeric SMILES

CC(=O)N1C(C=C(C(C1OC(=O)C)SC23CC4CC(C2)CC(C4)C3)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(30(34)37-20(2)36)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