[7-[(2-methylpropan-2-yl)oxycarbonyl]-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: [7-[(2-methylpropan-2-yl)oxycarbonyl]-5,8-bis(oxidanylidene)-7-(2-phenylethanoylamino)-5$l^{4}-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl-triphenyl-phosphanium bromide Openeye Name: [7-tert-butoxycarbonyl-5,8-dioxo-7-[(2-phenylacetyl)amino]-5$l^{4}-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl-triphenyl-phosphonium bromide CAS Name: [7-[(2-methylpropan-2-yl)oxy-oxomethyl]-5,8-dioxo-7-[(1-oxo-2-phenylethyl)amino]-5$l^{4}-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl-triphenylphosphonium bromide IUPAC Name: [7-[(2-methylpropan-2-yl)oxycarbonyl]-5,8-dioxo-7-[(2-phenylacetyl)amino]-5$l^{4}-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl-triphenylphosphanium bromide Traditional Name: [7-tert-butoxycarbonyl-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: C38H38BrN2O5PS MolecularWeight: 745.661481

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1(C2N(C1=O)C=C(CS2=O)C[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)NC(=O)CC6=CC=CC=C6.[Br-]

Isomeric SMILES

CC(C)(C)OC(=O)C1(C2N(C1=O)C=C(CS2=O)C[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)NC(=O)CC6=CC=CC=C6.[Br-]

InChI

InChI=1S/C38H37N2O5PS.BrH/c1-37(2,3)45-36(43)38(39-33(41)24-28-16-8-4-9-17-28)34(42)40-25-29(27-47(44)35(38)40)26-46(30-18-10-5-11-19-30,31-20-12-6-13-21-31)32-22-14-7-15-23-32;/h4-23,25,35H,24,26-27H2,1-3H3;1H