7-[[(3-azanyl-3-oxidanylidene-propyl)azaniumyl]methyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: 7-[[(3-azanyl-3-oxidanylidene-propyl)azaniumyl]methyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: 7-[[(3-amino-3-oxo-propyl)ammonio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 7-[[(3-amino-3-oxopropyl)ammonio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: 7-[[(3-amino-3-oxopropyl)azaniumyl]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 7-[[(3-amino-3-keto-propyl)ammonio]methyl]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C11H15N3O4S MolecularWeight: 285.3195

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C(N2C(S1)C(C2=O)C[NH2+]CCC(=O)N)C(=O)[O-]

Isomeric SMILES

C1C=C(N2C(S1)C(C2=O)C[NH2+]CCC(=O)N)C(=O)[O-]

InChI

InChI=1S/C11H15N3O4S/c12-8(15)1-3-13-5-6-9(16)14-7(11(17)18)2-4-19-10(6)14/h2,6,10,13H,1,3-5H2,(H2,12,15)(H,17,18)