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

Systemtic Name: [(1S)-1-[(3aR,5S,6S,6aR)-2,2-dimethyl-6-(1,2,3-triazol-1-yl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-bromanyl-ethyl] ethanoate Openeye Name: [(1S)-1-[(3aR,5S,6S,6aR)-2,2-dimethyl-6-(triazol-1-yl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-bromo-ethyl] acetate CAS Name: acetic acid [(1S)-1-[(3aR,5S,6S,6aR)-2,2-dimethyl-6-(1-triazolyl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-bromoethyl] ester IUPAC Name: [(1S)-1-[(3aR,5S,6S,6aR)-2,2-dimethyl-6-(triazol-1-yl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-bromoethyl] acetate Traditional Name: acetic acid [(1S)-1-[(3aR,5S,6S,6aR)-2,2-dimethyl-6-(triazol-1-yl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-bromo-ethyl] ester Formula: C13H18BrN3O5 MolecularWeight: 376.20312

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(CBr)C1C(C2C(O1)OC(O2)(C)C)N3C=CN=N3

Isomeric SMILES

CC(=O)O[C@H](CBr)[C@@H]1[C@@H]([C@@H]2[C@H](O1)OC(O2)(C)C)N3C=CN=N3

InChI

InChI=1S/C13H18BrN3O5/c1-7(18)19-8(6-14)10-9(17-5-4-15-16-17)11-12(20-10)22-13(2,3)21-11/h4-5,8-12H,6H2,1-3H3/t8-,9+,10-,11-,12-/m1/s1