(4-nitrophenyl)methyl 2-(3-ethyl-2-ethylsulfanyl-4-oxidanylidene-azetidin-1-yl)-2-oxidanyl-ethanoate

Systemtic Name: (4-nitrophenyl)methyl 2-(3-ethyl-2-ethylsulfanyl-4-oxidanylidene-azetidin-1-yl)-2-oxidanyl-ethanoate Openeye Name: (4-nitrophenyl)methyl 2-(3-ethyl-2-ethylsulfanyl-4-oxo-azetidin-1-yl)-2-hydroxy-acetate CAS Name: 2-[3-ethyl-2-(ethylthio)-4-oxo-1-azetidinyl]-2-hydroxyacetic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-(3-ethyl-2-ethylsulfanyl-4-oxoazetidin-1-yl)-2-hydroxyacetate Traditional Name: 2-[3-ethyl-2-(ethylthio)-4-keto-azetidin-1-yl]-2-hydroxy-acetic acid (4-nitrobenzyl) ester Formula: C16H20N2O6S MolecularWeight: 368.4048

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(N(C1=O)C(C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])O)SCC

Isomeric SMILES

CCC1C(N(C1=O)C(C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])O)SCC

InChI

InChI=1S/C16H20N2O6S/c1-3-12-13(19)17(15(12)25-4-2)14(20)16(21)24-9-10-5-7-11(8-6-10)18(22)23/h5-8,12,14-15,20H,3-4,9H2,1-2H3