[7-acetamido-2-(diphenylmethyl)oxycarbonyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl-triphenyl-phosphanium

Systemtic Name: [7-acetamido-2-(diphenylmethyl)oxycarbonyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl-triphenyl-phosphanium Openeye Name: (7-acetamido-2-benzhydryloxycarbonyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl)methyl-triphenyl-phosphonium CAS Name: [7-acetamido-2-[(diphenylmethyl)oxy-oxomethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl-triphenylphosphonium IUPAC Name: (7-acetamido-2-benzhydryloxycarbonyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl)methyl-triphenylphosphanium Traditional Name: (7-acetamido-2-benzhydryloxycarbonyl-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl)methyl-triphenyl-phosphonium Formula: C41H36N2O4PS+ MolecularWeight: 683.774301

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1C2N(C1=O)C(=C(CS2)C[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)C(=O)OC(C6=CC=CC=C6)C7=CC=CC=C7

Isomeric SMILES

CC(=O)NC1C2N(C1=O)C(=C(CS2)C[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)C(=O)OC(C6=CC=CC=C6)C7=CC=CC=C7

InChI

InChI=1S/C41H35N2O4PS/c1-29(44)42-36-39(45)43-37(41(46)47-38(30-17-7-2-8-18-30)31-19-9-3-10-20-31)32(28-49-40(36)43)27-48(33-21-11-4-12-22-33,34-23-13-5-14-24-34)35-25-15-6-16-26-35/h2-26,36,38,40H,27-28H2,1H3/p+1