3-chloranyl-7-(2-methyl-3-oxidanylidene-2,4-diphenyl-imidazolidin-3-ium-1-yl)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 3-chloranyl-7-(2-methyl-3-oxidanylidene-2,4-diphenyl-imidazolidin-3-ium-1-yl)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-chloro-7-(2-methyl-3-oxo-2,4-diphenyl-imidazolidin-3-ium-1-yl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-chloro-7-(2-methyl-3-oxo-2,4-diphenyl-1-imidazolidin-3-iumyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-chloro-7-(2-methyl-3-oxo-2,4-diphenylimidazolidin-3-ium-1-yl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 3-chloro-8-keto-7-(3-keto-2-methyl-2,4-diphenyl-imidazolidin-3-ium-1-yl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C23H21ClN3O4S+ MolecularWeight: 470.94854

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Descriptors Computed from Structure

Canonical SMILES:

CC1(N(CC([N+]1=O)C2=CC=CC=C2)C3C4N(C3=O)C(=C(CS4)Cl)C(=O)O)C5=CC=CC=C5

Isomeric SMILES

CC1(N(CC([N+]1=O)C2=CC=CC=C2)C3C4N(C3=O)C(=C(CS4)Cl)C(=O)O)C5=CC=CC=C5

InChI

InChI=1S/C23H20ClN3O4S/c1-23(15-10-6-3-7-11-15)25(12-17(27(23)31)14-8-4-2-5-9-14)19-20(28)26-18(22(29)30)16(24)13-32-21(19)26/h2-11,17,19,21H,12-13H2,1H3/p+1