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

Systemtic Name: [(2S,3R,6R)-2-tert-butylsulfanyl-1-ethanoyl-6-oxidanyl-3,6-dihydro-2H-pyridin-3-yl] ethanoate Openeye Name: [(2S,3R,6R)-1-acetyl-2-tert-butylsulfanyl-6-hydroxy-3,6-dihydro-2H-pyridin-3-yl] acetate CAS Name: acetic acid [(2S,3R,6R)-1-acetyl-2-(tert-butylthio)-6-hydroxy-3,6-dihydro-2H-pyridin-3-yl] ester IUPAC Name: [(2S,3R,6R)-1-acetyl-2-tert-butylsulfanyl-6-hydroxy-3,6-dihydro-2H-pyridin-3-yl] acetate Traditional Name: acetic acid [(2S,3R,6R)-1-acetyl-2-(tert-butylthio)-6-hydroxy-3,6-dihydro-2H-pyridin-3-yl] ester Formula: C13H21NO4S MolecularWeight: 287.37514

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(C=CC(C1SC(C)(C)C)OC(=O)C)O

Isomeric SMILES

CC(=O)N1[C@@H](C=C[C@H]([C@@H]1SC(C)(C)C)OC(=O)C)O

InChI

InChI=1S/C13H21NO4S/c1-8(15)14-11(17)7-6-10(18-9(2)16)12(14)19-13(3,4)5/h6-7,10-12,17H,1-5H3/t10-,11-,12+/m1/s1