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

Systemtic Name: (4-nitrophenyl)methyl 2-(1,3-dioxan-5-yloxysulfanylcarbonylsulfanyl)-2-(3-ethyl-2-ethylsulfanyl-4-oxidanylidene-azetidin-1-yl)ethanoate Openeye Name: (4-nitrophenyl)methyl 2-(1,3-dioxan-5-yloxysulfanylcarbonylsulfanyl)-2-(3-ethyl-2-ethylsulfanyl-4-oxo-azetidin-1-yl)acetate CAS Name: 2-[[(1,3-dioxan-5-yloxythio)-oxomethyl]thio]-2-[3-ethyl-2-(ethylthio)-4-oxo-1-azetidinyl]acetic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-(1,3-dioxan-5-yloxysulfanylcarbonylsulfanyl)-2-(3-ethyl-2-ethylsulfanyl-4-oxoazetidin-1-yl)acetate Traditional Name: 2-[(1,3-dioxan-5-yloxythio)carbonylthio]-2-[3-ethyl-2-(ethylthio)-4-keto-azetidin-1-yl]acetic acid (4-nitrobenzyl) ester Formula: C21H26N2O9S3 MolecularWeight: 546.63414

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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-])SC(=O)SOC3COCOC3)SCC

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O9S3/c1-3-16-17(24)22(18(16)33-4-2)19(34-21(26)35-32-15-10-29-12-30-11-15)20(25)31-9-13-5-7-14(8-6-13)23(27)28/h5-8,15-16,18-19H,3-4,9-12H2,1-2H3