[(E)-2-pyridin-3-ylsulfanylethenyl] 8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: [(E)-2-pyridin-3-ylsulfanylethenyl] 8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: [(E)-2-(3-pyridylsulfanyl)vinyl] 8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid [(E)-2-(3-pyridinylthio)ethenyl] ester IUPAC Name: [(E)-2-pyridin-3-ylsulfanylethenyl] 8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid [(E)-2-(3-pyridylthio)vinyl] ester Formula: C14H12N2O3S2 MolecularWeight: 320.38668

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C(N2C(S1)CC2=O)C(=O)OC=CSC3=CN=CC=C3

Isomeric SMILES

C1C=C(N2C(S1)CC2=O)C(=O)O/C=C/SC3=CN=CC=C3

InChI

InChI=1S/C14H12N2O3S2/c17-12-8-13-16(12)11(3-6-21-13)14(18)19-5-7-20-10-2-1-4-15-9-10/h1-5,7,9,13H,6,8H2/b7-5+