[2,3-bis(bromanyl)-7-[(4-nitrophenyl)methoxycarbonyl]-5,8-bis(oxidanylidene)-7-(2-phenylethanoylamino)-5$l^{4}-thia-1-azabicyclo[4.2.0]octan-3-yl]methyl-triphenyl-phosphanium

Systemtic Name: [2,3-bis(bromanyl)-7-[(4-nitrophenyl)methoxycarbonyl]-5,8-bis(oxidanylidene)-7-(2-phenylethanoylamino)-5$l^{4}-thia-1-azabicyclo[4.2.0]octan-3-yl]methyl-triphenyl-phosphanium Openeye Name: [2,3-dibromo-7-[(4-nitrophenyl)methoxycarbonyl]-5,8-dioxo-7-[(2-phenylacetyl)amino]-5$l^{4}-thia-1-azabicyclo[4.2.0]octan-3-yl]methyl-triphenyl-phosphonium CAS Name: [2,3-dibromo-7-[(4-nitrophenyl)methoxy-oxomethyl]-5,8-dioxo-7-[(1-oxo-2-phenylethyl)amino]-5$l^{4}-thia-1-azabicyclo[4.2.0]octan-3-yl]methyl-triphenylphosphonium IUPAC Name: [2,3-dibromo-7-[(4-nitrophenyl)methoxycarbonyl]-5,8-dioxo-7-[(2-phenylacetyl)amino]-5$l^{4}-thia-1-azabicyclo[4.2.0]octan-3-yl]methyl-triphenylphosphanium Traditional Name: [2,3-dibromo-5,8-diketo-7-(4-nitrobenzyl)oxycarbonyl-7-[(2-phenylacetyl)amino]-5$l^{4}-thia-1-azabicyclo[4.2.0]octan-3-yl]methyl-triphenyl-phosphonium Formula: C41H35Br2N3O7PS+ MolecularWeight: 904.579261

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(N2C(S1=O)C(C2=O)(C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])NC(=O)CC4=CC=CC=C4)Br)(C[P+](C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7)Br

Isomeric SMILES

C1C(C(N2C(S1=O)C(C2=O)(C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])NC(=O)CC4=CC=CC=C4)Br)(C[P+](C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7)Br

InChI

InChI=1S/C41H34Br2N3O7PS/c42-36-40(43,27-54(32-15-7-2-8-16-32,33-17-9-3-10-18-33)34-19-11-4-12-20-34)28-55(52)38-41(37(48)45(36)38,44-35(47)25-29-13-5-1-6-14-29)39(49)53-26-30-21-23-31(24-22-30)46(50)51/h1-24,36,38H,25-28H2/p+1