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

Systemtic Name: [2,6-bis(1-adamantylsulfanyl)-1-ethanoyl-3,6-dihydro-2H-pyridin-3-yl] ethanoate Openeye Name: [1-acetyl-2,6-bis(1-adamantylsulfanyl)-3,6-dihydro-2H-pyridin-3-yl] acetate CAS Name: acetic acid [1-acetyl-2,6-bis(1-adamantylthio)-3,6-dihydro-2H-pyridin-3-yl] ester IUPAC Name: [1-acetyl-2,6-bis(1-adamantylsulfanyl)-3,6-dihydro-2H-pyridin-3-yl] acetate Traditional Name: acetic acid [1-acetyl-2,6-bis(1-adamantylthio)-3,6-dihydro-2H-pyridin-3-yl] ester Formula: C29H41NO3S2 MolecularWeight: 515.77074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H41NO3S2/c1-17(31)30-26(34-28-11-19-5-20(12-28)7-21(6-19)13-28)4-3-25(33-18(2)32)27(30)35-29-14-22-8-23(15-29)10-24(9-22)16-29/h3-4,19-27H,5-16H2,1-2H3