(4-nitrophenyl)methyl (Z)-2-(2-chloranyl-4-oxidanylidene-azetidin-1-yl)-3-(4-chloranylphenoxy)-3-(2,2-dimethylpropanoylsulfanyl)prop-2-enoate

Systemtic Name: (4-nitrophenyl)methyl (Z)-2-(2-chloranyl-4-oxidanylidene-azetidin-1-yl)-3-(4-chloranylphenoxy)-3-(2,2-dimethylpropanoylsulfanyl)prop-2-enoate Openeye Name: (4-nitrophenyl)methyl (Z)-2-(2-chloro-4-oxo-azetidin-1-yl)-3-(4-chlorophenoxy)-3-(2,2-dimethylpropanoylsulfanyl)prop-2-enoate CAS Name: (Z)-2-(2-chloro-4-oxo-1-azetidinyl)-3-(4-chlorophenoxy)-3-[(2,2-dimethyl-1-oxopropyl)thio]-2-propenoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl (Z)-2-(2-chloro-4-oxoazetidin-1-yl)-3-(4-chlorophenoxy)-3-(2,2-dimethylpropanoylsulfanyl)prop-2-enoate Traditional Name: (Z)-2-(2-chloro-4-keto-azetidin-1-yl)-3-(4-chlorophenoxy)-3-(pivaloylthio)acrylic acid (4-nitrobenzyl) ester Formula: C24H22Cl2N2O7S MolecularWeight: 553.41168

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)SC(=C(C(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])N2C(CC2=O)Cl)OC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)(C)C(=O)S/C(=C(/C(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])\N2C(CC2=O)Cl)/OC3=CC=C(C=C3)Cl

InChI

InChI=1S/C24H22Cl2N2O7S/c1-24(2,3)23(31)36-22(35-17-10-6-15(25)7-11-17)20(27-18(26)12-19(27)29)21(30)34-13-14-4-8-16(9-5-14)28(32)33/h4-11,18H,12-13H2,1-3H3/b22-20-