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

Systemtic Name: [(2S,3R,4S)-2-(1-adamantylsulfanyl)-1-ethanoyl-3-oxidanyl-3,4-dihydro-2H-pyridin-4-yl] ethanoate Openeye Name: [(2S,3R,4S)-1-acetyl-2-(1-adamantylsulfanyl)-3-hydroxy-3,4-dihydro-2H-pyridin-4-yl] acetate CAS Name: acetic acid [(2S,3R,4S)-1-acetyl-2-(1-adamantylthio)-3-hydroxy-3,4-dihydro-2H-pyridin-4-yl] ester IUPAC Name: [(2S,3R,4S)-1-acetyl-2-(1-adamantylsulfanyl)-3-hydroxy-3,4-dihydro-2H-pyridin-4-yl] acetate Traditional Name: acetic acid [(2S,3R,4S)-1-acetyl-2-(1-adamantylthio)-3-hydroxy-3,4-dihydro-2H-pyridin-4-yl] ester Formula: C19H27NO4S MolecularWeight: 365.48698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27NO4S/c1-11(21)20-4-3-16(24-12(2)22)17(23)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?/m0/s1