7-azanyl-8-oxidanylidene-3-(pyridin-1-ium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate thiocyanate

Systemtic Name: 7-azanyl-8-oxidanylidene-3-(pyridin-1-ium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate thiocyanate Openeye Name: 7-amino-8-oxo-3-(pyridin-1-ium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate thiocyanate CAS Name: 7-amino-8-oxo-3-(1-pyridin-1-iumylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate thiocyanate IUPAC Name: 7-amino-8-oxo-3-(pyridin-1-ium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate thiocyanate Traditional Name: 7-amino-8-keto-3-(pyridin-1-ium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate thiocyanate Formula: C14H13N4O3S2- MolecularWeight: 349.40802

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(N2C(S1)C(C2=O)N)C(=O)[O-])C[N+]3=CC=CC=C3.C(#N)[S-]

Isomeric SMILES

C1C(=C(N2C(S1)C(C2=O)N)C(=O)[O-])C[N+]3=CC=CC=C3.C(#N)[S-]

InChI

InChI=1S/C13H13N3O3S.CHNS/c14-9-11(17)16-10(13(18)19)8(7-20-12(9)16)6-15-4-2-1-3-5-15;2-1-3/h1-5,9,12H,6-7,14H2;3H/p-1