8-oxidanylidene-3-[(E)-3-quinolin-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-carboxylate

Systemtic Name: 8-oxidanylidene-3-[(E)-3-quinolin-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-carboxylate Openeye Name: 8-oxo-3-[(E)-3-quinolin-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-carboxylate CAS Name: 8-oxo-7-[[1-oxo-2-[(2,4,5-trichlorophenyl)thio]ethyl]amino]-3-[(E)-3-(1-quinolin-1-iumyl)prop-1-enyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: 8-oxo-3-[(E)-3-quinolin-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-carboxylate Traditional Name: 8-keto-3-[(E)-3-quinolin-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-carboxylate Formula: C27H20Cl3N3O4S2 MolecularWeight: 620.9544

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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=CC5=CC=CC=C54

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=CC5=CC=CC=C54

InChI

InChI=1S/C27H20Cl3N3O4S2/c28-17-11-19(30)21(12-18(17)29)38-14-22(34)31-23-25(35)33-24(27(36)37)16(13-39-26(23)33)7-4-10-32-9-3-6-15-5-1-2-8-20(15)32/h1-9,11-12,23,26H,10,13-14H2,(H-,31,34,36,37)/b7-4+