(4-nitrophenyl)methyl 2-(3-bromanyl-2-oxidanylidene-azetidin-1-yl)-2-phenylsulfanyl-ethanoate

Systemtic Name: (4-nitrophenyl)methyl 2-(3-bromanyl-2-oxidanylidene-azetidin-1-yl)-2-phenylsulfanyl-ethanoate Openeye Name: (4-nitrophenyl)methyl 2-(3-bromo-2-oxo-azetidin-1-yl)-2-phenylsulfanyl-acetate CAS Name: 2-(3-bromo-2-oxo-1-azetidinyl)-2-(phenylthio)acetic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-(3-bromo-2-oxoazetidin-1-yl)-2-phenylsulfanylacetate Traditional Name: 2-(3-bromo-2-keto-azetidin-1-yl)-2-(phenylthio)acetic acid (4-nitrobenzyl) ester Formula: C18H15BrN2O5S MolecularWeight: 451.2911

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)N1C(C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])SC3=CC=CC=C3)Br

Isomeric SMILES

C1C(C(=O)N1C(C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])SC3=CC=CC=C3)Br

InChI

InChI=1S/C18H15BrN2O5S/c19-15-10-20(16(15)22)17(27-14-4-2-1-3-5-14)18(23)26-11-12-6-8-13(9-7-12)21(24)25/h1-9,15,17H,10-11H2