[(6R,7R)-2-methoxycarbonyl-8-oxidanylidene-7-(2-phenoxyethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl-triphenyl-phosphanium iodide

Systemtic Name: [(6R,7R)-2-methoxycarbonyl-8-oxidanylidene-7-(2-phenoxyethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl-triphenyl-phosphanium iodide Openeye Name: [(6R,7R)-2-methoxycarbonyl-8-oxo-7-[(2-phenoxyacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl-triphenyl-phosphonium iodide CAS Name: [(6R,7R)-2-methoxycarbonyl-8-oxo-7-[(1-oxo-2-phenoxyethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl-triphenylphosphonium iodide IUPAC Name: [(6R,7R)-2-methoxycarbonyl-8-oxo-7-[(2-phenoxyacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl-triphenylphosphanium iodide Traditional Name: [(6R,7R)-2-carbomethoxy-8-keto-7-[(2-phenoxyacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl-triphenyl-phosphonium iodide Formula: C35H32IN2O5PS MolecularWeight: 750.582211

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(CSC2N1C(=O)C2NC(=O)COC3=CC=CC=C3)C[P+](C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6.[I-]

Isomeric SMILES

COC(=O)C1=C(CS[C@H]2N1C(=O)[C@H]2NC(=O)COC3=CC=CC=C3)C[P+](C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6.[I-]

InChI

InChI=1S/C35H31N2O5PS.HI/c1-41-35(40)32-25(24-44-34-31(33(39)37(32)34)36-30(38)22-42-26-14-6-2-7-15-26)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/t31-,34-;/m1./s1