8-oxidanylidene-7-(2-phenylsulfanylethanoylamino)-3-[(E)-3-pyridin-1-ium-1-ylprop-1-enyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: 8-oxidanylidene-7-(2-phenylsulfanylethanoylamino)-3-[(E)-3-pyridin-1-ium-1-ylprop-1-enyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: 8-oxo-7-[(2-phenylsulfanylacetyl)amino]-3-[(E)-3-pyridin-1-ium-1-ylprop-1-enyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 8-oxo-7-[[1-oxo-2-(phenylthio)ethyl]amino]-3-[(E)-3-(1-pyridin-1-iumyl)prop-1-enyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: 8-oxo-7-[(2-phenylsulfanylacetyl)amino]-3-[(E)-3-pyridin-1-ium-1-ylprop-1-enyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 8-keto-7-[[2-(phenylthio)acetyl]amino]-3-[(E)-3-pyridin-1-ium-1-ylprop-1-enyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C23H21N3O4S2 MolecularWeight: 467.56054

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(N2C(S1)C(C2=O)NC(=O)CSC3=CC=CC=C3)C(=O)[O-])C=CC[N+]4=CC=CC=C4

Isomeric SMILES

C1C(=C(N2C(S1)C(C2=O)NC(=O)CSC3=CC=CC=C3)C(=O)[O-])/C=C/C[N+]4=CC=CC=C4

InChI

InChI=1S/C23H21N3O4S2/c27-18(15-31-17-9-3-1-4-10-17)24-19-21(28)26-20(23(29)30)16(14-32-22(19)26)8-7-13-25-11-5-2-6-12-25/h1-12,19,22H,13-15H2,(H-,24,27,29,30)/b8-7+