(4-nitrophenyl)methyl (Z)-3-(2,2-dimethylpropanoylsulfanyl)-2-(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-(2-oxidanylidene-4-prop-2-enylsulfanyl-azetidin-1-yl)-3-phenoxy-prop-2-enoate Openeye Name: (4-nitrophenyl)methyl (Z)-2-(2-allylsulfanyl-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-[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-(2-oxo-4-prop-2-enylsulfanylazetidin-1-yl)-3-phenoxyprop-2-enoate Traditional Name: (Z)-2-[2-(allylthio)-4-keto-azetidin-1-yl]-3-phenoxy-3-(pivaloylthio)acrylic acid (4-nitrobenzyl) ester Formula: C27H28N2O7S2 MolecularWeight: 556.65042

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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)SCC=C)OC3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C27H28N2O7S2/c1-5-15-37-22-16-21(30)28(22)23(24(31)35-17-18-11-13-19(14-12-18)29(33)34)25(38-26(32)27(2,3)4)36-20-9-7-6-8-10-20/h5-14,22H,1,15-17H2,2-4H3/b25-23-