tert-butyl 2-[2-[3-(4-fluorophenyl)-2-oxidanylidene-propyl]sulfanyl-4-oxidanylidene-3-[(triphenylmethyl)amino]azetidin-1-yl]-2-(triphenyl-$l^{5}-phosphanylidene)ethanoate

Systemtic Name: tert-butyl 2-[2-[3-(4-fluorophenyl)-2-oxidanylidene-propyl]sulfanyl-4-oxidanylidene-3-[(triphenylmethyl)amino]azetidin-1-yl]-2-(triphenyl-$l^{5}-phosphanylidene)ethanoate Openeye Name: tert-butyl 2-[2-[3-(4-fluorophenyl)-2-oxo-propyl]sulfanyl-4-oxo-3-(tritylamino)azetidin-1-yl]-2-(triphenyl-$l^{5}-phosphanylidene)acetate CAS Name: 2-[2-[[3-(4-fluorophenyl)-2-oxopropyl]thio]-4-oxo-3-[(triphenylmethyl)amino]-1-azetidinyl]-2-triphenylphosphoranylideneacetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[2-[3-(4-fluorophenyl)-2-oxopropyl]sulfanyl-4-oxo-3-(tritylamino)azetidin-1-yl]-2-(triphenyl-$l^{5}-phosphanylidene)acetate Traditional Name: 2-[2-[[3-(4-fluorophenyl)-2-keto-propyl]thio]-4-keto-3-(tritylamino)azetidin-1-yl]-2-triphenylphosphoranylidene-acetic acid tert-butyl ester Formula: C55H50FN2O4PS MolecularWeight: 885.033664

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(=P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)N4C(C(C4=O)NC(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7)SCC(=O)CC8=CC=C(C=C8)F

Isomeric SMILES

CC(C)(C)OC(=O)C(=P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)N4C(C(C4=O)NC(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7)SCC(=O)CC8=CC=C(C=C8)F

InChI

InChI=1S/C55H50FN2O4PS/c1-54(2,3)62-53(61)51(63(46-28-16-7-17-29-46,47-30-18-8-19-31-47)48-32-20-9-21-33-48)58-50(60)49(52(58)64-39-45(59)38-40-34-36-44(56)37-35-40)57-55(41-22-10-4-11-23-41,42-24-12-5-13-25-42)43-26-14-6-15-27-43/h4-37,49,52,57H,38-39H2,1-3H3