8-oxidanylidene-7-[[(5-oxidanyl-4-oxidanylidene-1H-pyridin-2-yl)methylazaniumyl]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: 8-oxidanylidene-7-[[(5-oxidanyl-4-oxidanylidene-1H-pyridin-2-yl)methylazaniumyl]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: 7-[[(5-hydroxy-4-oxo-1H-pyridin-2-yl)methylammonio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 7-[[(5-hydroxy-4-oxo-1H-pyridin-2-yl)methylammonio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: 7-[[(5-hydroxy-4-oxo-1H-pyridin-2-yl)methylazaniumyl]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 7-[[(5-hydroxy-4-keto-1H-pyridin-2-yl)methylammonio]methyl]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C14H15N3O5S MolecularWeight: 337.351

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C(N2C(S1)C(C2=O)C[NH2+]CC3=CC(=O)C(=CN3)O)C(=O)[O-]

Isomeric SMILES

C1C=C(N2C(S1)C(C2=O)C[NH2+]CC3=CC(=O)C(=CN3)O)C(=O)[O-]

InChI

InChI=1S/C14H15N3O5S/c18-10-3-7(16-6-11(10)19)4-15-5-8-12(20)17-9(14(21)22)1-2-23-13(8)17/h1,3,6,8,13,15,19H,2,4-5H2,(H,16,18)(H,21,22)