(4-nitrophenyl)methyl 2-(2-tert-butylsulfanyl-4-oxidanylidene-azetidin-1-yl)-5-chloranyl-4,4-dimethyl-3-oxidanylidene-pentanoate

Systemtic Name: (4-nitrophenyl)methyl 2-(2-tert-butylsulfanyl-4-oxidanylidene-azetidin-1-yl)-5-chloranyl-4,4-dimethyl-3-oxidanylidene-pentanoate Openeye Name: (4-nitrophenyl)methyl 2-(2-tert-butylsulfanyl-4-oxo-azetidin-1-yl)-5-chloro-4,4-dimethyl-3-oxo-pentanoate CAS Name: 2-[2-(tert-butylthio)-4-oxo-1-azetidinyl]-5-chloro-4,4-dimethyl-3-oxopentanoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-(2-tert-butylsulfanyl-4-oxoazetidin-1-yl)-5-chloro-4,4-dimethyl-3-oxopentanoate Traditional Name: 2-[2-(tert-butylthio)-4-keto-azetidin-1-yl]-5-chloro-3-keto-4,4-dimethyl-valeric acid (4-nitrobenzyl) ester Formula: C21H27ClN2O6S MolecularWeight: 470.96688

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SC1CC(=O)N1C(C(=O)C(C)(C)CCl)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)SC1CC(=O)N1C(C(=O)C(C)(C)CCl)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C21H27ClN2O6S/c1-20(2,3)31-16-10-15(25)23(16)17(18(26)21(4,5)12-22)19(27)30-11-13-6-8-14(9-7-13)24(28)29/h6-9,16-17H,10-12H2,1-5H3