(phenylmethyl) 2-[2-[2-(1-acetamidoethenylsulfanyl)-2-oxidanylidene-ethyl]-4-oxidanylidene-3-(2-oxidanylpropan-2-yl)azetidin-1-yl]-2-(triphenyl-$l^{5}-phosphanylidene)ethanoate

Systemtic Name: (phenylmethyl) 2-[2-[2-(1-acetamidoethenylsulfanyl)-2-oxidanylidene-ethyl]-4-oxidanylidene-3-(2-oxidanylpropan-2-yl)azetidin-1-yl]-2-(triphenyl-$l^{5}-phosphanylidene)ethanoate Openeye Name: benzyl 2-[2-[2-(1-acetamidovinylsulfanyl)-2-oxo-ethyl]-3-(1-hydroxy-1-methyl-ethyl)-4-oxo-azetidin-1-yl]-2-(triphenyl-$l^{5}-phosphanylidene)acetate CAS Name: 2-[2-[2-(1-acetamidoethenylthio)-2-oxoethyl]-3-(2-hydroxypropan-2-yl)-4-oxo-1-azetidinyl]-2-triphenylphosphoranylideneacetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[2-[2-(1-acetamidoethenylsulfanyl)-2-oxoethyl]-3-(2-hydroxypropan-2-yl)-4-oxoazetidin-1-yl]-2-(triphenyl-$l^{5}-phosphanylidene)acetate Traditional Name: 2-[2-[2-(1-acetamidovinylthio)-2-keto-ethyl]-3-(1-hydroxy-1-methyl-ethyl)-4-keto-azetidin-1-yl]-2-triphenylphosphoranylidene-acetic acid benzyl ester Formula: C39H39N2O6PS MolecularWeight: 694.775521

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(=C)SC(=O)CC1C(C(=O)N1C(=P(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)OCC5=CC=CC=C5)C(C)(C)O

Isomeric SMILES

CC(=O)NC(=C)SC(=O)CC1C(C(=O)N1C(=P(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)OCC5=CC=CC=C5)C(C)(C)O

InChI

InChI=1S/C39H39N2O6PS/c1-27(42)40-28(2)49-34(43)25-33-35(39(3,4)46)36(44)41(33)37(38(45)47-26-29-17-9-5-10-18-29)48(30-19-11-6-12-20-30,31-21-13-7-14-22-31)32-23-15-8-16-24-32/h5-24,33,35,46H,2,25-26H2,1,3-4H3,(H,40,42)