[(2R)-2-[(3aR,5S,6R,6aR)-6-azido-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-ethanoylsulfanyl-ethyl] ethanoate

Systemtic Name: [(2R)-2-[(3aR,5S,6R,6aR)-6-azido-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-ethanoylsulfanyl-ethyl] ethanoate Openeye Name: [(2R)-2-[(3aR,5S,6R,6aR)-6-azido-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-acetylsulfanyl-ethyl] acetate CAS Name: acetic acid [(2R)-2-[(3aR,5S,6R,6aR)-6-azido-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-(acetylthio)ethyl] ester IUPAC Name: [(2R)-2-[(3aR,5S,6R,6aR)-6-azido-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-acetylsulfanylethyl] acetate Traditional Name: acetic acid [(2R)-2-[(3aR,5S,6R,6aR)-6-azido-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-(acetylthio)ethyl] ester Formula: C13H19N3O6S MolecularWeight: 345.37146

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC(C1C(C2C(O1)OC(O2)(C)C)N=[N+]=[N-])SC(=O)C

Isomeric SMILES

CC(=O)OC[C@H]([C@@H]1[C@@H]([C@@H]2[C@H](O1)OC(O2)(C)C)N=[N+]=[N-])SC(=O)C

InChI

InChI=1S/C13H19N3O6S/c1-6(17)19-5-8(23-7(2)18)10-9(15-16-14)11-12(20-10)22-13(3,4)21-11/h8-12H,5H2,1-4H3/t8-,9+,10-,11-,12-/m1/s1