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

Systemtic Name: [(2S,3R,6R)-2-(1-adamantylsulfanyl)-1-ethanoyl-6-oxidanyl-3,6-dihydro-2H-pyridin-3-yl] ethanoate Openeye Name: [(2S,3R,6R)-1-acetyl-2-(1-adamantylsulfanyl)-6-hydroxy-3,6-dihydro-2H-pyridin-3-yl] acetate CAS Name: acetic acid [(2S,3R,6R)-1-acetyl-2-(1-adamantylthio)-6-hydroxy-3,6-dihydro-2H-pyridin-3-yl] ester IUPAC Name: [(2S,3R,6R)-1-acetyl-2-(1-adamantylsulfanyl)-6-hydroxy-3,6-dihydro-2H-pyridin-3-yl] acetate Traditional Name: acetic acid [(2S,3R,6R)-1-acetyl-2-(1-adamantylthio)-6-hydroxy-3,6-dihydro-2H-pyridin-3-yl] ester Formula: C19H27NO4S MolecularWeight: 365.48698

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(C=CC(C1SC23CC4CC(C2)CC(C4)C3)OC(=O)C)O

Isomeric SMILES

CC(=O)N1[C@@H](C=C[C@H]([C@@H]1SC23CC4CC(C2)CC(C4)C3)OC(=O)C)O

InChI

InChI=1S/C19H27NO4S/c1-11(21)20-17(23)4-3-16(24-12(2)22)18(20)25-19-8-13-5-14(9-19)7-15(6-13)10-19/h3-4,13-18,23H,5-10H2,1-2H3/t13?,14?,15?,16-,17-,18+,19?/m1/s1