6-isocyano-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Systemtic Name: 6-isocyano-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: 6-isocyano-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate CAS Name: 6-isocyano-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate IUPAC Name: 6-isocyano-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: 6-isocyano-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Formula: C9H9N2O3S- MolecularWeight: 225.24436

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N2C(S1)C(C2=O)[N+]#[C-])C(=O)[O-])C

Isomeric SMILES

CC1(C(N2C(S1)C(C2=O)[N+]#[C-])C(=O)[O-])C

InChI

InChI=1S/C9H10N2O3S/c1-9(2)5(8(13)14)11-6(12)4(10-3)7(11)15-9/h4-5,7H,1-2H3,(H,13,14)/p-1