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

Systemtic Name: 4-(4-azidobutyl)-6-(1-hydroxyethyl)-3-methylsulfanyl-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: 4-(4-azidobutyl)-6-(1-hydroxyethyl)-3-methylsulfanyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: 4-(4-azidobutyl)-6-(1-hydroxyethyl)-3-(methylthio)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: 4-(4-azidobutyl)-6-(1-hydroxyethyl)-3-methylsulfanyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: 4-(4-azidobutyl)-6-(1-hydroxyethyl)-7-keto-3-(methylthio)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C14H20N4O4S MolecularWeight: 340.398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N4O4S/c1-7(19)9-10-8(5-3-4-6-16-17-15)12(23-2)11(14(21)22)18(10)13(9)20/h7-10,19H,3-6H2,1-2H3,(H,21,22)