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

Systemtic Name: (4-nitrophenyl)methyl 2-(2-tert-butylsulfanyl-3-methyl-4-oxidanylidene-azetidin-1-yl)-4,4-dimethyl-3-oxidanylidene-pentanoate Openeye Name: (4-nitrophenyl)methyl 2-(2-tert-butylsulfanyl-3-methyl-4-oxo-azetidin-1-yl)-4,4-dimethyl-3-oxo-pentanoate CAS Name: 2-[2-(tert-butylthio)-3-methyl-4-oxo-1-azetidinyl]-4,4-dimethyl-3-oxopentanoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-(2-tert-butylsulfanyl-3-methyl-4-oxoazetidin-1-yl)-4,4-dimethyl-3-oxopentanoate Traditional Name: 2-[2-(tert-butylthio)-4-keto-3-methyl-azetidin-1-yl]-3-keto-4,4-dimethyl-valeric acid (4-nitrobenzyl) ester Formula: C22H30N2O6S MolecularWeight: 450.5484

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(N(C1=O)C(C(=O)C(C)(C)C)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])SC(C)(C)C

Isomeric SMILES

CC1C(N(C1=O)C(C(=O)C(C)(C)C)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])SC(C)(C)C

InChI

InChI=1S/C22H30N2O6S/c1-13-18(26)23(19(13)31-22(5,6)7)16(17(25)21(2,3)4)20(27)30-12-14-8-10-15(11-9-14)24(28)29/h8-11,13,16,19H,12H2,1-7H3