(4-nitrophenyl)methyl 3,3-bis(ethanoylsulfanyl)-2-(2-oxidanylidene-4-prop-2-enylsulfanyl-azetidin-1-yl)prop-2-enoate

Systemtic Name: (4-nitrophenyl)methyl 3,3-bis(ethanoylsulfanyl)-2-(2-oxidanylidene-4-prop-2-enylsulfanyl-azetidin-1-yl)prop-2-enoate Openeye Name: (4-nitrophenyl)methyl 3,3-bis(acetylsulfanyl)-2-(2-allylsulfanyl-4-oxo-azetidin-1-yl)prop-2-enoate CAS Name: 3,3-bis(acetylthio)-2-[2-oxo-4-(prop-2-enylthio)-1-azetidinyl]-2-propenoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 3,3-bis(acetylsulfanyl)-2-(2-oxo-4-prop-2-enylsulfanylazetidin-1-yl)prop-2-enoate Traditional Name: 3,3-bis(acetylthio)-2-[2-(allylthio)-4-keto-azetidin-1-yl]acrylic acid (4-nitrobenzyl) ester Formula: C20H20N2O7S3 MolecularWeight: 496.577

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O7S3/c1-4-9-30-17-10-16(25)21(17)18(20(31-12(2)23)32-13(3)24)19(26)29-11-14-5-7-15(8-6-14)22(27)28/h4-8,17H,1,9-11H2,2-3H3