(4-nitrophenyl)methyl 3-(1,3-dioxan-5-yloxysulfanyl)-2-(3-ethyl-2-ethylsulfanyl-4-oxidanylidene-azetidin-1-yl)-3-oxidanylidene-propanoate

Systemtic Name: (4-nitrophenyl)methyl 3-(1,3-dioxan-5-yloxysulfanyl)-2-(3-ethyl-2-ethylsulfanyl-4-oxidanylidene-azetidin-1-yl)-3-oxidanylidene-propanoate Openeye Name: (4-nitrophenyl)methyl 3-(1,3-dioxan-5-yloxysulfanyl)-2-(3-ethyl-2-ethylsulfanyl-4-oxo-azetidin-1-yl)-3-oxo-propanoate CAS Name: 3-(1,3-dioxan-5-yloxythio)-2-[3-ethyl-2-(ethylthio)-4-oxo-1-azetidinyl]-3-oxopropanoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 3-(1,3-dioxan-5-yloxysulfanyl)-2-(3-ethyl-2-ethylsulfanyl-4-oxoazetidin-1-yl)-3-oxopropanoate Traditional Name: 3-(1,3-dioxan-5-yloxythio)-2-[3-ethyl-2-(ethylthio)-4-keto-azetidin-1-yl]-3-keto-propionic acid (4-nitrobenzyl) ester Formula: C21H26N2O9S2 MolecularWeight: 514.56914

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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-])C(=O)SOC3COCOC3)SCC

Isomeric SMILES

CCC1C(N(C1=O)C(C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C(=O)SOC3COCOC3)SCC

InChI

InChI=1S/C21H26N2O9S2/c1-3-16-18(24)22(19(16)33-4-2)17(21(26)34-32-15-10-29-12-30-11-15)20(25)31-9-13-5-7-14(8-6-13)23(27)28/h5-8,15-17,19H,3-4,9-12H2,1-2H3