(4-nitrophenyl)methyl (Z)-3-(2,2-dimethylpropanoylsulfanyl)-2-(3-ethyl-2-oxidanylidene-4-prop-2-enylsulfanyl-azetidin-1-yl)-3-phenoxy-prop-2-enoate

Systemtic Name: (4-nitrophenyl)methyl (Z)-3-(2,2-dimethylpropanoylsulfanyl)-2-(3-ethyl-2-oxidanylidene-4-prop-2-enylsulfanyl-azetidin-1-yl)-3-phenoxy-prop-2-enoate Openeye Name: (4-nitrophenyl)methyl (Z)-2-(2-allylsulfanyl-3-ethyl-4-oxo-azetidin-1-yl)-3-(2,2-dimethylpropanoylsulfanyl)-3-phenoxy-prop-2-enoate CAS Name: (Z)-3-[(2,2-dimethyl-1-oxopropyl)thio]-2-[3-ethyl-2-oxo-4-(prop-2-enylthio)-1-azetidinyl]-3-phenoxy-2-propenoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl (Z)-3-(2,2-dimethylpropanoylsulfanyl)-2-(3-ethyl-2-oxo-4-prop-2-enylsulfanylazetidin-1-yl)-3-phenoxyprop-2-enoate Traditional Name: (Z)-2-[2-(allylthio)-3-ethyl-4-keto-azetidin-1-yl]-3-phenoxy-3-(pivaloylthio)acrylic acid (4-nitrobenzyl) ester Formula: C29H32N2O7S2 MolecularWeight: 584.70358

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(N(C1=O)C(=C(OC2=CC=CC=C2)SC(=O)C(C)(C)C)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])SCC=C

Isomeric SMILES

CCC1C(N(C1=O)/C(=C(/OC2=CC=CC=C2)\SC(=O)C(C)(C)C)/C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])SCC=C

InChI

InChI=1S/C29H32N2O7S2/c1-6-17-39-25-22(7-2)24(32)30(25)23(26(33)37-18-19-13-15-20(16-14-19)31(35)36)27(40-28(34)29(3,4)5)38-21-11-9-8-10-12-21/h6,8-16,22,25H,1,7,17-18H2,2-5H3/b27-23-