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

Systemtic Name: [2-methoxycarbonyl-5,8-bis(oxidanylidene)-7-(2-phenylethanoylamino)-5$l^{4}-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl-triphenyl-phosphanium bromide Openeye Name: [2-methoxycarbonyl-5,8-dioxo-7-[(2-phenylacetyl)amino]-5$l^{4}-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl-triphenyl-phosphonium bromide CAS Name: [2-methoxycarbonyl-5,8-dioxo-7-[(1-oxo-2-phenylethyl)amino]-5$l^{4}-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl-triphenylphosphonium bromide IUPAC Name: [2-methoxycarbonyl-5,8-dioxo-7-[(2-phenylacetyl)amino]-5$l^{4}-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl-triphenylphosphanium bromide Traditional Name: [2-carbomethoxy-5,8-diketo-7-[(2-phenylacetyl)amino]-5$l^{4}-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl-triphenyl-phosphonium bromide Formula: C35H32BrN2O5PS MolecularWeight: 703.581741

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(CS(=O)C2N1C(=O)C2NC(=O)CC3=CC=CC=C3)C[P+](C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6.[Br-]

Isomeric SMILES

COC(=O)C1=C(CS(=O)C2N1C(=O)C2NC(=O)CC3=CC=CC=C3)C[P+](C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6.[Br-]

InChI

InChI=1S/C35H31N2O5PS.BrH/c1-42-35(40)32-26(24-44(41)34-31(33(39)37(32)34)36-30(38)22-25-14-6-2-7-15-25)23-43(27-16-8-3-9-17-27,28-18-10-4-11-19-28)29-20-12-5-13-21-29;/h2-21,31,34H,22-24H2,1H3;1H