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

Systemtic Name: (4-nitrophenyl)methyl 2-(2-ethanoylsulfanyl-4-oxidanylidene-azetidin-1-yl)-2-oxidanyl-ethanoate Openeye Name: (4-nitrophenyl)methyl 2-(2-acetylsulfanyl-4-oxo-azetidin-1-yl)-2-hydroxy-acetate CAS Name: 2-[2-(acetylthio)-4-oxo-1-azetidinyl]-2-hydroxyacetic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-(2-acetylsulfanyl-4-oxoazetidin-1-yl)-2-hydroxyacetate Traditional Name: 2-[2-(acetylthio)-4-keto-azetidin-1-yl]-2-hydroxy-acetic acid (4-nitrobenzyl) ester Formula: C14H14N2O7S MolecularWeight: 354.33516

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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-])O

Isomeric SMILES

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

InChI

InChI=1S/C14H14N2O7S/c1-8(17)24-12-6-11(18)15(12)13(19)14(20)23-7-9-2-4-10(5-3-9)16(21)22/h2-5,12-13,19H,6-7H2,1H3