[(2S,3R,4S)-4-acetyloxy-2-(1-adamantylsulfanyl)-1-ethanoyl-5-phenyl-3,4-dihydro-2H-pyridin-3-yl] ethanoate

Systemtic Name: [(2S,3R,4S)-4-acetyloxy-2-(1-adamantylsulfanyl)-1-ethanoyl-5-phenyl-3,4-dihydro-2H-pyridin-3-yl] ethanoate Openeye Name: [(2S,3R,4S)-4-acetoxy-1-acetyl-2-(1-adamantylsulfanyl)-5-phenyl-3,4-dihydro-2H-pyridin-3-yl] acetate CAS Name: acetic acid [(2S,3R,4S)-1-acetyl-4-acetyloxy-2-(1-adamantylthio)-5-phenyl-3,4-dihydro-2H-pyridin-3-yl] ester IUPAC Name: [(2S,3R,4S)-1-acetyl-4-acetyloxy-2-(1-adamantylsulfanyl)-5-phenyl-3,4-dihydro-2H-pyridin-3-yl] acetate Traditional Name: acetic acid [(2S,3R,4S)-4-acetoxy-1-acetyl-2-(1-adamantylthio)-5-phenyl-3,4-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(C1SC23CC4CC(C2)CC(C4)C3)OC(=O)C)OC(=O)C)C5=CC=CC=C5

Isomeric SMILES

CC(=O)N1C=C([C@@H]([C@H]([C@@H]1SC23CC4CC(C2)CC(C4)C3)OC(=O)C)OC(=O)C)C5=CC=CC=C5

InChI

InChI=1S/C27H33NO5S/c1-16(29)28-15-23(22-7-5-4-6-8-22)24(32-17(2)30)25(33-18(3)31)26(28)34-27-12-19-9-20(13-27)11-21(10-19)14-27/h4-8,15,19-21,24-26H,9-14H2,1-3H3/t19?,20?,21?,24-,25+,26-,27?/m0/s1