3-[[1-(2-azanyl-2-oxidanylidene-ethyl)pyridin-1-ium-4-yl]sulfanylmethyl]-7-formamido-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: 3-[[1-(2-azanyl-2-oxidanylidene-ethyl)pyridin-1-ium-4-yl]sulfanylmethyl]-7-formamido-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: 3-[[1-(2-amino-2-oxo-ethyl)pyridin-1-ium-4-yl]sulfanylmethyl]-7-formamido-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 3-[[[1-(2-amino-2-oxoethyl)-4-pyridin-1-iumyl]thio]methyl]-7-formamido-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: 3-[[1-(2-amino-2-oxoethyl)pyridin-1-ium-4-yl]sulfanylmethyl]-7-formamido-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 3-[[[1-(2-amino-2-keto-ethyl)pyridin-1-ium-4-yl]thio]methyl]-7-formamido-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C16H16N4O5S2 MolecularWeight: 408.45204

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(N2C(S1)C(C2=O)NC=O)C(=O)[O-])CSC3=CC=[N+](C=C3)CC(=O)N

Isomeric SMILES

C1C(=C(N2C(S1)C(C2=O)NC=O)C(=O)[O-])CSC3=CC=[N+](C=C3)CC(=O)N

InChI

InChI=1S/C16H16N4O5S2/c17-11(22)5-19-3-1-10(2-4-19)26-6-9-7-27-15-12(18-8-21)14(23)20(15)13(9)16(24)25/h1-4,8,12,15H,5-7H2,(H3-,17,18,21,22,24,25)