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

Systemtic Name: [(2S,3R,6R)-2-(1-adamantylsulfanyl)-1-ethanoyl-3-oxidanyl-5-phenyl-3,6-dihydro-2H-pyridin-6-yl] ethanoate Openeye Name: [(2S,3R,6R)-1-acetyl-2-(1-adamantylsulfanyl)-3-hydroxy-5-phenyl-3,6-dihydro-2H-pyridin-6-yl] acetate CAS Name: acetic acid [(2S,3R,6R)-1-acetyl-2-(1-adamantylthio)-3-hydroxy-5-phenyl-3,6-dihydro-2H-pyridin-6-yl] ester IUPAC Name: [(2S,3R,6R)-1-acetyl-2-(1-adamantylsulfanyl)-3-hydroxy-5-phenyl-3,6-dihydro-2H-pyridin-6-yl] acetate Traditional Name: acetic acid [(2S,3R,6R)-1-acetyl-2-(1-adamantylthio)-3-hydroxy-5-phenyl-3,6-dihydro-2H-pyridin-6-yl] ester Formula: C25H31NO4S MolecularWeight: 441.58294

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C25H31NO4S/c1-15(27)26-23(30-16(2)28)21(20-6-4-3-5-7-20)11-22(29)24(26)31-25-12-17-8-18(13-25)10-19(9-17)14-25/h3-7,11,17-19,22-24,29H,8-10,12-14H2,1-2H3/t17?,18?,19?,22-,23-,24+,25?/m1/s1