[(2S,3R,6R)-6-acetyloxy-2-(1-adamantylsulfanyl)-1-ethanoyl-5-phenyl-3,6-dihydro-2H-pyridin-3-yl] ethanoate

Systemtic Name: [(2S,3R,6R)-6-acetyloxy-2-(1-adamantylsulfanyl)-1-ethanoyl-5-phenyl-3,6-dihydro-2H-pyridin-3-yl] ethanoate Openeye Name: [(2S,3R,6R)-6-acetoxy-1-acetyl-2-(1-adamantylsulfanyl)-5-phenyl-3,6-dihydro-2H-pyridin-3-yl] acetate CAS Name: acetic acid [(2S,3R,6R)-1-acetyl-6-acetyloxy-2-(1-adamantylthio)-5-phenyl-3,6-dihydro-2H-pyridin-3-yl] ester IUPAC Name: [(2S,3R,6R)-1-acetyl-6-acetyloxy-2-(1-adamantylsulfanyl)-5-phenyl-3,6-dihydro-2H-pyridin-3-yl] acetate Traditional Name: acetic acid [(2S,3R,6R)-6-acetoxy-1-acetyl-2-(1-adamantylthio)-5-phenyl-3,6-dihydro-2H-pyridin-3-yl] ester Formula: C27H33NO5S MolecularWeight: 483.61962

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(C(C=C(C1OC(=O)C)C2=CC=CC=C2)OC(=O)C)SC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC(=O)N1[C@H]([C@@H](C=C([C@H]1OC(=O)C)C2=CC=CC=C2)OC(=O)C)SC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C27H33NO5S/c1-16(29)28-25(33-18(3)31)23(22-7-5-4-6-8-22)12-24(32-17(2)30)26(28)34-27-13-19-9-20(14-27)11-21(10-19)15-27/h4-8,12,19-21,24-26H,9-11,13-15H2,1-3H3/t19?,20?,21?,24-,25-,26+,27?/m1/s1