4-[(1-methylpyridin-1-ium-4-yl)sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: 4-[(1-methylpyridin-1-ium-4-yl)sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: 4-[(1-methylpyridin-1-ium-4-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 4-[[(1-methyl-4-pyridin-1-iumyl)thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: 4-[(1-methylpyridin-1-ium-4-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 8-keto-4-[[(1-methylpyridin-1-ium-4-yl)thio]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C14H14N2O3S2 MolecularWeight: 322.40256

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=C(C=C1)SCC2C=C(N3C(S2)CC3=O)C(=O)[O-]

Isomeric SMILES

C[N+]1=CC=C(C=C1)SCC2C=C(N3C(S2)CC3=O)C(=O)[O-]

InChI

InChI=1S/C14H14N2O3S2/c1-15-4-2-9(3-5-15)20-8-10-6-11(14(18)19)16-12(17)7-13(16)21-10/h2-6,10,13H,7-8H2,1H3