(4-nitrophenyl)methyl 2-ethoxysulfanylcarbonylsulfanyl-2-(2-ethylsulfanyl-4-oxidanylidene-azetidin-1-yl)ethanoate

Systemtic Name: (4-nitrophenyl)methyl 2-ethoxysulfanylcarbonylsulfanyl-2-(2-ethylsulfanyl-4-oxidanylidene-azetidin-1-yl)ethanoate Openeye Name: (4-nitrophenyl)methyl 2-ethoxysulfanylcarbonylsulfanyl-2-(2-ethylsulfanyl-4-oxo-azetidin-1-yl)acetate CAS Name: 2-[[(ethoxythio)-oxomethyl]thio]-2-[2-(ethylthio)-4-oxo-1-azetidinyl]acetic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-ethoxysulfanylcarbonylsulfanyl-2-(2-ethylsulfanyl-4-oxoazetidin-1-yl)acetate Traditional Name: 2-[(ethoxythio)carbonylthio]-2-[2-(ethylthio)-4-keto-azetidin-1-yl]acetic acid (4-nitrobenzyl) ester Formula: C17H20N2O7S3 MolecularWeight: 460.5449

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Descriptors Computed from Structure

Canonical SMILES:

CCOSC(=O)SC(C(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])N2C(CC2=O)SCC

Isomeric SMILES

CCOSC(=O)SC(C(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])N2C(CC2=O)SCC

InChI

InChI=1S/C17H20N2O7S3/c1-3-26-29-17(22)28-15(18-13(20)9-14(18)27-4-2)16(21)25-10-11-5-7-12(8-6-11)19(23)24/h5-8,14-15H,3-4,9-10H2,1-2H3