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

Systemtic Name: [(2S,3R,4S)-3-acetyloxy-2-(1-adamantylsulfanyl)-1-ethanoyl-3,4-dihydro-2H-pyridin-4-yl] ethanoate Openeye Name: [(2S,3R,4S)-3-acetoxy-1-acetyl-2-(1-adamantylsulfanyl)-3,4-dihydro-2H-pyridin-4-yl] acetate CAS Name: acetic acid [(2S,3R,4S)-1-acetyl-3-acetyloxy-2-(1-adamantylthio)-3,4-dihydro-2H-pyridin-4-yl] ester IUPAC Name: [(2S,3R,4S)-1-acetyl-3-acetyloxy-2-(1-adamantylsulfanyl)-3,4-dihydro-2H-pyridin-4-yl] acetate Traditional Name: acetic acid [(2S,3R,4S)-3-acetoxy-1-acetyl-2-(1-adamantylthio)-3,4-dihydro-2H-pyridin-4-yl] ester Formula: C21H29NO5S MolecularWeight: 407.52366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29NO5S/c1-12(23)22-5-4-18(26-13(2)24)19(27-14(3)25)20(22)28-21-9-15-6-16(10-21)8-17(7-15)11-21/h4-5,15-20H,6-11H2,1-3H3/t15?,16?,17?,18-,19+,20-,21?/m0/s1