4-(2-azidoethyl)-6-(1-hydroxyethyl)-3-methylsulfanyl-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Systemtic Name: 4-(2-azidoethyl)-6-(1-hydroxyethyl)-3-methylsulfanyl-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: 4-(2-azidoethyl)-6-(1-hydroxyethyl)-3-methylsulfanyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: 4-(2-azidoethyl)-6-(1-hydroxyethyl)-3-(methylthio)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: 4-(2-azidoethyl)-6-(1-hydroxyethyl)-3-methylsulfanyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: 4-(2-azidoethyl)-6-(1-hydroxyethyl)-7-keto-3-(methylthio)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C12H16N4O4S MolecularWeight: 312.34484

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N4O4S/c1-5(17)7-8-6(3-4-14-15-13)10(21-2)9(12(19)20)16(8)11(7)18/h5-8,17H,3-4H2,1-2H3,(H,19,20)