3-(2-acetamidoethylsulfanyl)-6-(1-azidoethyl)-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systemtic Name: 3-(2-acetamidoethylsulfanyl)-6-(1-azidoethyl)-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: 3-(2-acetamidoethylsulfanyl)-6-(1-azidoethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: 3-(2-acetamidoethylthio)-6-(1-azidoethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate IUPAC Name: 3-(2-acetamidoethylsulfanyl)-6-(1-azidoethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: 3-(2-acetamidoethylthio)-6-(1-azidoethyl)-7-keto-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Formula: C13H16N5O4S- MolecularWeight: 338.36224

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1C2CC(=C(N2C1=O)C(=O)[O-])SCCNC(=O)C)N=[N+]=[N-]

Isomeric SMILES

CC(C1C2CC(=C(N2C1=O)C(=O)[O-])SCCNC(=O)C)N=[N+]=[N-]

InChI

InChI=1S/C13H17N5O4S/c1-6(16-17-14)10-8-5-9(23-4-3-15-7(2)19)11(13(21)22)18(8)12(10)20/h6,8,10H,3-5H2,1-2H3,(H,15,19)(H,21,22)/p-1