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

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

Systemtic Name:[[aminocarbonyl(methyl)amino]-pyridin-1-ium-1-ylsulfanyl-methyl] 8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Openeye Name:[[carbamoyl(methyl)amino]-pyridin-1-ium-1-ylsulfanyl-methyl] 8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
CAS Name:8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid [[carbamoyl(methyl)amino]-(1-pyridin-1-iumylthio)methyl] ester
IUPAC Name:[[carbamoyl(methyl)amino]-pyridin-1-ium-1-ylsulfanylmethyl] 8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Traditional Name:8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid [[carbamoyl(methyl)amino]-(pyridin-1-ium-1-ylthio)methyl] ester
Formula: C15H17N4O4S2+
MolecularWeight: 381.44988
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Descriptors Computed from Structure

Canonical SMILES:

CN(C(OC(=O)C1=CCSC2N1C(=O)C2)S[N+]3=CC=CC=C3)C(=O)N


Isomeric SMILES

CN(C(OC(=O)C1=CCSC2N1C(=O)C2)S[N+]3=CC=CC=C3)C(=O)N


InChI

InChI=1S/C15H16N4O4S2/c1-17(14(16)22)15(25-18-6-3-2-4-7-18)23-13(21)10-5-8-24-12-9-11(20)19(10)12/h2-7,12,15H,8-9H2,1H3,(H-,16,22)/p+1


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