8-oxidanylidene-3-[(E)-3-pyridin-1-ium-1-ylprop-1-enyl]-7-[2-[2,4,5-tris(chloranyl)phenyl]sulfanylethanoylamino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 8-oxidanylidene-3-[(E)-3-pyridin-1-ium-1-ylprop-1-enyl]-7-[2-[2,4,5-tris(chloranyl)phenyl]sulfanylethanoylamino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 8-oxo-3-[(E)-3-pyridin-1-ium-1-ylprop-1-enyl]-7-[[2-(2,4,5-trichlorophenyl)sulfanylacetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 8-oxo-7-[[1-oxo-2-[(2,4,5-trichlorophenyl)thio]ethyl]amino]-3-[(E)-3-(1-pyridin-1-iumyl)prop-1-enyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 8-oxo-3-[(E)-3-pyridin-1-ium-1-ylprop-1-enyl]-7-[[2-(2,4,5-trichlorophenyl)sulfanylacetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 8-keto-3-[(E)-3-pyridin-1-ium-1-ylprop-1-enyl]-7-[[2-[(2,4,5-trichlorophenyl)thio]acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C23H19Cl3N3O4S2+ MolecularWeight: 571.90366

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(N2C(S1)C(C2=O)NC(=O)CSC3=CC(=C(C=C3Cl)Cl)Cl)C(=O)O)C=CC[N+]4=CC=CC=C4

Isomeric SMILES

C1C(=C(N2C(S1)C(C2=O)NC(=O)CSC3=CC(=C(C=C3Cl)Cl)Cl)C(=O)O)/C=C/C[N+]4=CC=CC=C4

InChI

InChI=1S/C23H18Cl3N3O4S2/c24-14-9-16(26)17(10-15(14)25)34-12-18(30)27-19-21(31)29-20(23(32)33)13(11-35-22(19)29)5-4-8-28-6-2-1-3-7-28/h1-7,9-10,19,22H,8,11-12H2,(H-,27,30,32,33)/p+1/b5-4+