(4-nitrophenyl)methyl 2-(2-tert-butylsulfanyl-4-oxidanylidene-azetidin-1-yl)-4,4-dimethyl-3-oxidanylidene-pentanoate

Systemtic Name: (4-nitrophenyl)methyl 2-(2-tert-butylsulfanyl-4-oxidanylidene-azetidin-1-yl)-4,4-dimethyl-3-oxidanylidene-pentanoate Openeye Name: (4-nitrophenyl)methyl 2-(2-tert-butylsulfanyl-4-oxo-azetidin-1-yl)-4,4-dimethyl-3-oxo-pentanoate CAS Name: 2-[2-(tert-butylthio)-4-oxo-1-azetidinyl]-4,4-dimethyl-3-oxopentanoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-(2-tert-butylsulfanyl-4-oxoazetidin-1-yl)-4,4-dimethyl-3-oxopentanoate Traditional Name: 2-[2-(tert-butylthio)-4-keto-azetidin-1-yl]-3-keto-4,4-dimethyl-valeric acid (4-nitrobenzyl) ester Formula: C21H28N2O6S MolecularWeight: 436.52182

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O6S/c1-20(2,3)18(25)17(22-15(24)11-16(22)30-21(4,5)6)19(26)29-12-13-7-9-14(10-8-13)23(27)28/h7-10,16-17H,11-12H2,1-6H3