(4-nitrophenyl)methyl 2-[(2R,3S)-2-[(1R)-1-ethanoylsulfanylethyl]-4-oxidanylidene-3-(phenylmethoxycarbonylamino)azetidin-1-yl]-2-(triphenyl-$l^{5}-phosphanylidene)ethanoate

Systemtic Name: (4-nitrophenyl)methyl 2-[(2R,3S)-2-[(1R)-1-ethanoylsulfanylethyl]-4-oxidanylidene-3-(phenylmethoxycarbonylamino)azetidin-1-yl]-2-(triphenyl-$l^{5}-phosphanylidene)ethanoate Openeye Name: (4-nitrophenyl)methyl 2-[(2R,3S)-2-[(1R)-1-acetylsulfanylethyl]-3-(benzyloxycarbonylamino)-4-oxo-azetidin-1-yl]-2-(triphenyl-$l^{5}-phosphanylidene)acetate CAS Name: 2-[(2R,3S)-2-[(1R)-1-(acetylthio)ethyl]-4-oxo-3-(phenylmethoxycarbonylamino)-1-azetidinyl]-2-triphenylphosphoranylideneacetic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-[(2R,3S)-2-[(1R)-1-acetylsulfanylethyl]-4-oxo-3-(phenylmethoxycarbonylamino)azetidin-1-yl]-2-(triphenyl-$l^{5}-phosphanylidene)acetate Traditional Name: 2-[(2R,3S)-2-[(1R)-1-(acetylthio)ethyl]-3-(benzyloxycarbonylamino)-4-keto-azetidin-1-yl]-2-triphenylphosphoranylidene-acetic acid (4-nitrobenzyl) ester Formula: C42H38N3O8PS MolecularWeight: 775.805181

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1C(C(=O)N1C(=P(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)OCC5=CC=C(C=C5)[N+](=O)[O-])NC(=O)OCC6=CC=CC=C6)SC(=O)C

Isomeric SMILES

C[C@H]([C@H]1[C@@H](C(=O)N1C(=P(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)OCC5=CC=C(C=C5)[N+](=O)[O-])NC(=O)OCC6=CC=CC=C6)SC(=O)C

InChI

InChI=1S/C42H38N3O8PS/c1-29(55-30(2)46)38-37(43-42(49)53-28-31-15-7-3-8-16-31)39(47)44(38)40(41(48)52-27-32-23-25-33(26-24-32)45(50)51)54(34-17-9-4-10-18-34,35-19-11-5-12-20-35)36-21-13-6-14-22-36/h3-26,29,37-38H,27-28H2,1-2H3,(H,43,49)/t29-,37+,38+/m1/s1