7-[[furan-2-ylcarbonyl(methyl)amino]-pyridin-1-ium-1-ylsulfanyl-methyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: 7-[[furan-2-ylcarbonyl(methyl)amino]-pyridin-1-ium-1-ylsulfanyl-methyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: 7-[[furan-2-carbonyl(methyl)amino]-pyridin-1-ium-1-ylsulfanyl-methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 7-[[[2-furanyl(oxo)methyl]-methylamino]-(1-pyridin-1-iumylthio)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: 7-[[furan-2-carbonyl(methyl)amino]-pyridin-1-ium-1-ylsulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 7-[[2-furoyl(methyl)amino]-(pyridin-1-ium-1-ylthio)methyl]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C19H17N3O5S2 MolecularWeight: 431.48538

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(C1C2N(C1=O)C(=CCS2)C(=O)[O-])S[N+]3=CC=CC=C3)C(=O)C4=CC=CO4

Isomeric SMILES

CN(C(C1C2N(C1=O)C(=CCS2)C(=O)[O-])S[N+]3=CC=CC=C3)C(=O)C4=CC=CO4

InChI

InChI=1S/C19H17N3O5S2/c1-20(15(23)13-6-5-10-27-13)17(29-21-8-3-2-4-9-21)14-16(24)22-12(19(25)26)7-11-28-18(14)22/h2-10,14,17-18H,11H2,1H3