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

Systemtic Name: [2,3-bis(bromanyl)-2-methoxycarbonyl-5,8-bis(oxidanylidene)-7-(2-phenoxyethanoylamino)-5$l^{4}-thia-1-azabicyclo[4.2.0]octan-3-yl]methyl-triphenyl-phosphanium Openeye Name: [2,3-dibromo-2-methoxycarbonyl-5,8-dioxo-7-[(2-phenoxyacetyl)amino]-5$l^{4}-thia-1-azabicyclo[4.2.0]octan-3-yl]methyl-triphenyl-phosphonium CAS Name: [2,3-dibromo-2-methoxycarbonyl-5,8-dioxo-7-[(1-oxo-2-phenoxyethyl)amino]-5$l^{4}-thia-1-azabicyclo[4.2.0]octan-3-yl]methyl-triphenylphosphonium IUPAC Name: [2,3-dibromo-2-methoxycarbonyl-5,8-dioxo-7-[(2-phenoxyacetyl)amino]-5$l^{4}-thia-1-azabicyclo[4.2.0]octan-3-yl]methyl-triphenylphosphanium Traditional Name: [2,3-dibromo-2-carbomethoxy-5,8-diketo-7-[(2-phenoxyacetyl)amino]-5$l^{4}-thia-1-azabicyclo[4.2.0]octan-3-yl]methyl-triphenyl-phosphonium Formula: C35H32Br2N2O6PS+ MolecularWeight: 799.485141

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(C(CS(=O)C2N1C(=O)C2NC(=O)COC3=CC=CC=C3)(C[P+](C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)Br)Br

Isomeric SMILES

COC(=O)C1(C(CS(=O)C2N1C(=O)C2NC(=O)COC3=CC=CC=C3)(C[P+](C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)Br)Br

InChI

InChI=1S/C35H31Br2N2O6PS/c1-44-33(42)35(37)34(36,24-47(43)32-30(31(41)39(32)35)38-29(40)22-45-25-14-6-2-7-15-25)23-46(26-16-8-3-9-17-26,27-18-10-4-11-19-27)28-20-12-5-13-21-28/h2-21,30,32H,22-24H2,1H3/p+1