[(6R,7R)-7-[[(2Z)-2-cyclopentyloxyimino-2-[2-[(triphenylmethyl)amino]-1,3-thiazol-4-yl]ethanoyl]amino]-2-[(4-methoxyphenyl)methoxycarbonyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl-triphenyl-phosphanium iodide

Systemtic Name: [(6R,7R)-7-[[(2Z)-2-cyclopentyloxyimino-2-[2-[(triphenylmethyl)amino]-1,3-thiazol-4-yl]ethanoyl]amino]-2-[(4-methoxyphenyl)methoxycarbonyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl-triphenyl-phosphanium iodide Openeye Name: [(6R,7R)-7-[[(2Z)-2-(cyclopentoxyimino)-2-[2-(tritylamino)thiazol-4-yl]acetyl]amino]-2-[(4-methoxyphenyl)methoxycarbonyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl-triphenyl-phosphonium iodide CAS Name: [(6R,7R)-7-[[(2Z)-2-cyclopentyloxyimino-1-oxo-2-[2-[(triphenylmethyl)amino]-4-thiazolyl]ethyl]amino]-2-[(4-methoxyphenyl)methoxy-oxomethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl-triphenylphosphonium iodide IUPAC Name: [(6R,7R)-7-[[(2Z)-2-cyclopentyloxyimino-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetyl]amino]-2-[(4-methoxyphenyl)methoxycarbonyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl-triphenylphosphanium iodide Traditional Name: [(6R,7R)-7-[[(2Z)-2-cyclopentyloximino-2-[2-(tritylamino)thiazol-4-yl]acetyl]amino]-8-keto-2-p-anisyloxycarbonyl-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl-triphenyl-phosphonium iodide Formula: C63H57IN5O6PS2 MolecularWeight: 1202.164811

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)COC(=O)C2=C(CSC3N2C(=O)C3NC(=O)C(=NOC4CCCC4)C5=CSC(=N5)NC(C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8)C[P+](C9=CC=CC=C9)(C1=CC=CC=C1)C1=CC=CC=C1.[I-]

Isomeric SMILES

COC1=CC=C(C=C1)COC(=O)C2=C(CS[C@H]3N2C(=O)[C@H]3NC(=O)/C(=N\OC4CCCC4)/C5=CSC(=N5)NC(C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8)C[P+](C9=CC=CC=C9)(C1=CC=CC=C1)C1=CC=CC=C1.[I-]

InChI

InChI=1S/C63H56N5O6PS2.HI/c1-72-49-38-36-44(37-39-49)40-73-61(71)57-45(41-75(51-30-14-5-15-31-51,52-32-16-6-17-33-52)53-34-18-7-19-35-53)42-76-60-56(59(70)68(57)60)65-58(69)55(67-74-50-28-20-21-29-50)54-43-77-62(64-54)66-63(46-22-8-2-9-23-46,47-24-10-3-11-25-47)48-26-12-4-13-27-48;/h2-19,22-27,30-39,43,50,56,60H,20-21,28-29,40-42H2,1H3,(H-,64,65,66,69);1H/b67-55-;/t56-,60-;/m1./s1