(4-nitrophenyl)methyl 2-chloranyl-2-(2-ethanoylsulfanyl-4-oxidanylidene-azetidin-1-yl)ethanoate

Systemtic Name: (4-nitrophenyl)methyl 2-chloranyl-2-(2-ethanoylsulfanyl-4-oxidanylidene-azetidin-1-yl)ethanoate Openeye Name: (4-nitrophenyl)methyl 2-(2-acetylsulfanyl-4-oxo-azetidin-1-yl)-2-chloro-acetate CAS Name: 2-[2-(acetylthio)-4-oxo-1-azetidinyl]-2-chloroacetic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-(2-acetylsulfanyl-4-oxoazetidin-1-yl)-2-chloroacetate Traditional Name: 2-[2-(acetylthio)-4-keto-azetidin-1-yl]-2-chloro-acetic acid (4-nitrobenzyl) ester Formula: C14H13ClN2O6S MolecularWeight: 372.78082

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1CC(=O)N1C(C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CC(=O)SC1CC(=O)N1C(C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C14H13ClN2O6S/c1-8(18)24-12-6-11(19)16(12)13(15)14(20)23-7-9-2-4-10(5-3-9)17(21)22/h2-5,12-13H,6-7H2,1H3