6-ethyl-7-oxidanylidene-3-pyridin-3-yl-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systemtic Name: 6-ethyl-7-oxidanylidene-3-pyridin-3-yl-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: 6-ethyl-7-oxo-3-(3-pyridyl)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: 6-ethyl-7-oxo-3-(3-pyridinyl)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate IUPAC Name: 6-ethyl-7-oxo-3-pyridin-3-yl-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: 6-ethyl-7-keto-3-(3-pyridyl)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Formula: C13H11N2O3S- MolecularWeight: 275.30304

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C2N(C1=O)C(=C(S2)C3=CN=CC=C3)C(=O)[O-]

Isomeric SMILES

CCC1C2N(C1=O)C(=C(S2)C3=CN=CC=C3)C(=O)[O-]

InChI

InChI=1S/C13H12N2O3S/c1-2-8-11(16)15-9(13(17)18)10(19-12(8)15)7-4-3-5-14-6-7/h3-6,8,12H,2H2,1H3,(H,17,18)/p-1