(4-nitrophenyl)methyl 3-bromanylsulfanyl-2-[2-chloranyl-4-oxidanylidene-3-(2-phenoxyethanoylamino)azetidin-1-yl]-3-methyl-butanoate

Systemtic Name: (4-nitrophenyl)methyl 3-bromanylsulfanyl-2-[2-chloranyl-4-oxidanylidene-3-(2-phenoxyethanoylamino)azetidin-1-yl]-3-methyl-butanoate Openeye Name: (4-nitrophenyl)methyl 3-bromosulfanyl-2-[2-chloro-4-oxo-3-[(2-phenoxyacetyl)amino]azetidin-1-yl]-3-methyl-butanoate CAS Name: 3-(bromothio)-2-[2-chloro-4-oxo-3-[(1-oxo-2-phenoxyethyl)amino]-1-azetidinyl]-3-methylbutanoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 3-bromosulfanyl-2-[2-chloro-4-oxo-3-[(2-phenoxyacetyl)amino]azetidin-1-yl]-3-methylbutanoate Traditional Name: 3-(bromothio)-2-[2-chloro-4-keto-3-[(2-phenoxyacetyl)amino]azetidin-1-yl]-3-methyl-butyric acid (4-nitrobenzyl) ester Formula: C23H23BrClN3O7S MolecularWeight: 600.86662

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(C(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])N2C(C(C2=O)NC(=O)COC3=CC=CC=C3)Cl)SBr

Isomeric SMILES

CC(C)(C(C(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])N2C(C(C2=O)NC(=O)COC3=CC=CC=C3)Cl)SBr

InChI

InChI=1S/C23H23BrClN3O7S/c1-23(2,36-24)19(22(31)35-12-14-8-10-15(11-9-14)28(32)33)27-20(25)18(21(27)30)26-17(29)13-34-16-6-4-3-5-7-16/h3-11,18-20H,12-13H2,1-2H3,(H,26,29)