(4-nitrophenyl)methyl 3-ethoxysulfanyl-2-(2-ethylsulfanyl-4-oxidanylidene-azetidin-1-yl)-3-oxidanylidene-propanoate

Systemtic Name: (4-nitrophenyl)methyl 3-ethoxysulfanyl-2-(2-ethylsulfanyl-4-oxidanylidene-azetidin-1-yl)-3-oxidanylidene-propanoate Openeye Name: (4-nitrophenyl)methyl 3-ethoxysulfanyl-2-(2-ethylsulfanyl-4-oxo-azetidin-1-yl)-3-oxo-propanoate CAS Name: 3-(ethoxythio)-2-[2-(ethylthio)-4-oxo-1-azetidinyl]-3-oxopropanoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 3-ethoxysulfanyl-2-(2-ethylsulfanyl-4-oxoazetidin-1-yl)-3-oxopropanoate Traditional Name: 3-(ethoxythio)-2-[2-(ethylthio)-4-keto-azetidin-1-yl]-3-keto-propionic acid (4-nitrobenzyl) ester Formula: C17H20N2O7S2 MolecularWeight: 428.4799

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O7S2/c1-3-26-28-17(22)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