(8-oxidanylidene-7-pyridin-3-ylsulfanyl-5-thia-1-azabicyclo[4.2.0]oct-2-en-2-yl) hydrogen carbonate

Systemtic Name: (8-oxidanylidene-7-pyridin-3-ylsulfanyl-5-thia-1-azabicyclo[4.2.0]oct-2-en-2-yl) hydrogen carbonate Openeye Name: [8-oxo-7-(3-pyridylsulfanyl)-5-thia-1-azabicyclo[4.2.0]oct-2-en-2-yl] hydrogen carbonate CAS Name: carbonic acid [8-oxo-7-(3-pyridinylthio)-5-thia-1-azabicyclo[4.2.0]oct-2-en-2-yl] ester IUPAC Name: (8-oxo-7-pyridin-3-ylsulfanyl-5-thia-1-azabicyclo[4.2.0]oct-2-en-2-yl) hydrogen carbonate Traditional Name: carbonic acid [8-keto-7-(3-pyridylthio)-5-thia-1-azabicyclo[4.2.0]oct-2-en-2-yl] ester Formula: C12H10N2O4S2 MolecularWeight: 310.3488

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C(N2C(S1)C(C2=O)SC3=CN=CC=C3)OC(=O)O

Isomeric SMILES

C1C=C(N2C(S1)C(C2=O)SC3=CN=CC=C3)OC(=O)O

InChI

InChI=1S/C12H10N2O4S2/c15-10-9(20-7-2-1-4-13-6-7)11-14(10)8(3-5-19-11)18-12(16)17/h1-4,6,9,11H,5H2,(H,16,17)