(4-nitrophenyl)methyl (E)-3-(2,2-dimethylpropanoylsulfanyl)-3-naphthalen-1-yloxy-2-(2-oxidanylidene-4-prop-2-enylsulfanyl-azetidin-1-yl)prop-2-enoate

Systemtic Name: (4-nitrophenyl)methyl (E)-3-(2,2-dimethylpropanoylsulfanyl)-3-naphthalen-1-yloxy-2-(2-oxidanylidene-4-prop-2-enylsulfanyl-azetidin-1-yl)prop-2-enoate Openeye Name: (4-nitrophenyl)methyl (E)-2-(2-allylsulfanyl-4-oxo-azetidin-1-yl)-3-(2,2-dimethylpropanoylsulfanyl)-3-(1-naphthyloxy)prop-2-enoate CAS Name: (E)-3-[(2,2-dimethyl-1-oxopropyl)thio]-3-(1-naphthalenyloxy)-2-[2-oxo-4-(prop-2-enylthio)-1-azetidinyl]-2-propenoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl (E)-3-(2,2-dimethylpropanoylsulfanyl)-3-naphthalen-1-yloxy-2-(2-oxo-4-prop-2-enylsulfanylazetidin-1-yl)prop-2-enoate Traditional Name: (E)-2-[2-(allylthio)-4-keto-azetidin-1-yl]-3-(1-naphthoxy)-3-(pivaloylthio)acrylic acid (4-nitrobenzyl) ester Formula: C31H30N2O7S2 MolecularWeight: 606.7091

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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=CC4=CC=CC=C43

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=CC4=CC=CC=C43

InChI

InChI=1S/C31H30N2O7S2/c1-5-17-41-26-18-25(34)32(26)27(28(35)39-19-20-13-15-22(16-14-20)33(37)38)29(42-30(36)31(2,3)4)40-24-12-8-10-21-9-6-7-11-23(21)24/h5-16,26H,1,17-19H2,2-4H3/b29-27+