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

Systemtic Name: 3-[(E)-2-acetamidoethenyl]sulfanyl-6-(1-azidoethyl)-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: 3-[(E)-2-acetamidovinyl]sulfanyl-6-(1-azidoethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: 3-[[(E)-2-acetamidoethenyl]thio]-6-(1-azidoethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate IUPAC Name: 3-[(E)-2-acetamidoethenyl]sulfanyl-6-(1-azidoethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: 3-[[(E)-2-acetamidovinyl]thio]-6-(1-azidoethyl)-7-keto-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Formula: C13H14N5O4S- MolecularWeight: 336.34636

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C1C2CC(=C(N2C1=O)C(=O)[O-])S/C=C/NC(=O)C)N=[N+]=[N-]

InChI

InChI=1S/C13H15N5O4S/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/h3-4,6,8,10H,5H2,1-2H3,(H,15,19)(H,21,22)/p-1/b4-3+