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

Systemtic Name: 6-(1-hydroxyethyl)-7-oxidanylidene-3-(pyrazin-2-ylsulfanylmethyl)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: 6-(1-hydroxyethyl)-7-oxo-3-(pyrazin-2-ylsulfanylmethyl)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: 6-(1-hydroxyethyl)-7-oxo-3-[(2-pyrazinylthio)methyl]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate IUPAC Name: 6-(1-hydroxyethyl)-7-oxo-3-(pyrazin-2-ylsulfanylmethyl)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: 6-(1-hydroxyethyl)-7-keto-3-[(pyrazin-2-ylthio)methyl]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Formula: C13H12N3O4S2- MolecularWeight: 338.38208

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13N3O4S2/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)/p-1