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pyridin-1-ium-1-ylsulfanylmethyl 7-(aminocarbonylamino)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

pyridin-1-ium-1-ylsulfanylmethyl 7-(aminocarbonylamino)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name:pyridin-1-ium-1-ylsulfanylmethyl 7-(aminocarbonylamino)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Openeye Name:pyridin-1-ium-1-ylsulfanylmethyl 8-oxo-7-ureido-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
CAS Name:7-(carbamoylamino)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (1-pyridin-1-iumylthio)methyl ester
IUPAC Name:pyridin-1-ium-1-ylsulfanylmethyl 7-(carbamoylamino)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Traditional Name:8-keto-7-ureido-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (pyridin-1-ium-1-ylthio)methyl ester
Formula: C14H15N4O4S2+
MolecularWeight: 367.4233
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Descriptors Computed from Structure

Canonical SMILES:

C1C=C(N2C(S1)C(C2=O)NC(=O)N)C(=O)OCS[N+]3=CC=CC=C3


Isomeric SMILES

C1C=C(N2C(S1)C(C2=O)NC(=O)N)C(=O)OCS[N+]3=CC=CC=C3


InChI

InChI=1S/C14H14N4O4S2/c15-14(21)16-10-11(19)18-9(4-7-23-12(10)18)13(20)22-8-24-17-5-2-1-3-6-17/h1-6,10,12H,7-8H2,(H2-,15,16,21)/p+1


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