[(2S)-1-bromanyl-4-imidazol-1-yl-4-oxidanylidene-butan-2-yl] ethanoate

Systemtic Name: [(2S)-1-bromanyl-4-imidazol-1-yl-4-oxidanylidene-butan-2-yl] ethanoate Openeye Name: [(1S)-1-(bromomethyl)-3-imidazol-1-yl-3-oxo-propyl] acetate CAS Name: acetic acid [(2S)-1-bromo-4-(1-imidazolyl)-4-oxobutan-2-yl] ester IUPAC Name: [(2S)-1-bromo-4-imidazol-1-yl-4-oxobutan-2-yl] acetate Traditional Name: acetic acid [(1S)-1-(bromomethyl)-3-imidazol-1-yl-3-keto-propyl] ester Formula: C9H11BrN2O3 MolecularWeight: 275.09924

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(CC(=O)N1C=CN=C1)CBr

Isomeric SMILES

CC(=O)O[C@@H](CC(=O)N1C=CN=C1)CBr

InChI

InChI=1S/C9H11BrN2O3/c1-7(13)15-8(5-10)4-9(14)12-3-2-11-6-12/h2-3,6,8H,4-5H2,1H3/t8-/m0/s1