(6R,7S)-3-(1-acetyloxypropyl)-7-azido-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: (6R,7S)-3-(1-acetyloxypropyl)-7-azido-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: (6R,7S)-3-(1-acetoxypropyl)-7-azido-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: (6R,7S)-3-(1-acetyloxypropyl)-7-azido-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: (6R,7S)-3-(1-acetyloxypropyl)-7-azido-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: (6R,7S)-3-(1-acetoxypropyl)-7-azido-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C12H13N4O5S- MolecularWeight: 325.32042

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=C(N2C(C(C2=O)N=[N+]=[N-])SC1)C(=O)[O-])OC(=O)C

Isomeric SMILES

CCC(C1=C(N2[C@@H]([C@H](C2=O)N=[N+]=[N-])SC1)C(=O)[O-])OC(=O)C

InChI

InChI=1S/C12H14N4O5S/c1-3-7(21-5(2)17)6-4-22-11-8(14-15-13)10(18)16(11)9(6)12(19)20/h7-8,11H,3-4H2,1-2H3,(H,19,20)/p-1/t7?,8-,11+/m0/s1