4-(3-azidopropyl)-6-(1-hydroxyethyl)-3-methylsulfanyl-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systemtic Name: 4-(3-azidopropyl)-6-(1-hydroxyethyl)-3-methylsulfanyl-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: 4-(3-azidopropyl)-6-(1-hydroxyethyl)-3-methylsulfanyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: 4-(3-azidopropyl)-6-(1-hydroxyethyl)-3-(methylthio)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate IUPAC Name: 4-(3-azidopropyl)-6-(1-hydroxyethyl)-3-methylsulfanyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: 4-(3-azidopropyl)-6-(1-hydroxyethyl)-7-keto-3-(methylthio)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Formula: C13H17N4O4S- MolecularWeight: 325.36348

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1C2C(C(=C(N2C1=O)C(=O)[O-])SC)CCCN=[N+]=[N-])O

Isomeric SMILES

CC(C1C2C(C(=C(N2C1=O)C(=O)[O-])SC)CCCN=[N+]=[N-])O

InChI

InChI=1S/C13H18N4O4S/c1-6(18)8-9-7(4-3-5-15-16-14)11(22-2)10(13(20)21)17(9)12(8)19/h6-9,18H,3-5H2,1-2H3,(H,20,21)/p-1