methyl (4S,6S)-2-oxidanylidene-3-sulfooxy-1,3-diazabicyclo[2.2.1]heptane-6-carboxylate

Systemtic Name: methyl (4S,6S)-2-oxidanylidene-3-sulfooxy-1,3-diazabicyclo[2.2.1]heptane-6-carboxylate Openeye Name: methyl (4S,6S)-2-oxo-3-sulfooxy-1,3-diazabicyclo[2.2.1]heptane-6-carboxylate CAS Name: (4S,6S)-2-oxo-3-sulfooxy-1,3-diazabicyclo[2.2.1]heptane-6-carboxylic acid methyl ester IUPAC Name: methyl (4S,6S)-2-oxo-3-sulfooxy-1,3-diazabicyclo[2.2.1]heptane-6-carboxylate Traditional Name: (4S,6S)-2-keto-3-sulfoxy-1,3-diazabicyclo[2.2.1]heptane-6-carboxylic acid methyl ester Formula: C7H10N2O7S MolecularWeight: 266.2285

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC2CN1C(=O)N2OS(=O)(=O)O

Isomeric SMILES

COC(=O)[C@@H]1C[C@H]2CN1C(=O)N2OS(=O)(=O)O

InChI

InChI=1S/C7H10N2O7S/c1-15-6(10)5-2-4-3-8(5)7(11)9(4)16-17(12,13)14/h4-5H,2-3H2,1H3,(H,12,13,14)/t4-,5-/m0/s1