(4-nitrophenyl)methyl 2-[2-ethanoylsulfanyl-4-oxidanylidene-3-(2-phenoxyethanoylamino)azetidin-1-yl]-2-oxidanyl-ethanoate

Systemtic Name: (4-nitrophenyl)methyl 2-[2-ethanoylsulfanyl-4-oxidanylidene-3-(2-phenoxyethanoylamino)azetidin-1-yl]-2-oxidanyl-ethanoate Openeye Name: (4-nitrophenyl)methyl 2-[2-acetylsulfanyl-4-oxo-3-[(2-phenoxyacetyl)amino]azetidin-1-yl]-2-hydroxy-acetate CAS Name: 2-[2-(acetylthio)-4-oxo-3-[(1-oxo-2-phenoxyethyl)amino]-1-azetidinyl]-2-hydroxyacetic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-[2-acetylsulfanyl-4-oxo-3-[(2-phenoxyacetyl)amino]azetidin-1-yl]-2-hydroxyacetate Traditional Name: 2-[2-(acetylthio)-4-keto-3-[(2-phenoxyacetyl)amino]azetidin-1-yl]-2-hydroxy-acetic acid (4-nitrobenzyl) ester Formula: C22H21N3O9S MolecularWeight: 503.48184

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1C(C(=O)N1C(C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])O)NC(=O)COC3=CC=CC=C3

Isomeric SMILES

CC(=O)SC1C(C(=O)N1C(C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])O)NC(=O)COC3=CC=CC=C3

InChI

InChI=1S/C22H21N3O9S/c1-13(26)35-21-18(23-17(27)12-33-16-5-3-2-4-6-16)19(28)24(21)20(29)22(30)34-11-14-7-9-15(10-8-14)25(31)32/h2-10,18,20-21,29H,11-12H2,1H3,(H,23,27)