7-[[methanoyl(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-[[methanoyl(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-[[formyl(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-[[formyl(methyl)amino]-(1-pyridin-1-iumylthio)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: 7-[[formyl(methyl)amino]-pyridin-1-ium-1-ylsulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 7-[[formyl(methyl)amino]-(pyridin-1-ium-1-ylthio)methyl]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C15H15N3O4S2 MolecularWeight: 365.4273

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15N3O4S2/c1-16(9-19)13(24-17-6-3-2-4-7-17)11-12(20)18-10(15(21)22)5-8-23-14(11)18/h2-7,9,11,13-14H,8H2,1H3