potassium 6-(1-hydroxyethyl)-7-oxidanylidene-3-(pyrazin-2-ylsulfanylmethyl)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systemtic Name: potassium 6-(1-hydroxyethyl)-7-oxidanylidene-3-(pyrazin-2-ylsulfanylmethyl)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: potassium 6-(1-hydroxyethyl)-7-oxo-3-(pyrazin-2-ylsulfanylmethyl)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: potassium 6-(1-hydroxyethyl)-7-oxo-3-[(2-pyrazinylthio)methyl]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate IUPAC Name: potassium 6-(1-hydroxyethyl)-7-oxo-3-(pyrazin-2-ylsulfanylmethyl)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: potassium 6-(1-hydroxyethyl)-7-keto-3-[(pyrazin-2-ylthio)methyl]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Formula: C13H12KN3O4S2 MolecularWeight: 377.48038

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1C2N(C1=O)C(=C(S2)CSC3=NC=CN=C3)C(=O)[O-])O.[K+]

Isomeric SMILES

CC(C1C2N(C1=O)C(=C(S2)CSC3=NC=CN=C3)C(=O)[O-])O.[K+]

InChI

InChI=1S/C13H13N3O4S2.K/c1-6(17)9-11(18)16-10(13(19)20)7(22-12(9)16)5-21-8-4-14-2-3-15-8;/h2-4,6,9,12,17H,5H2,1H3,(H,19,20);/q;+1/p-1