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

Systemtic Name: (4-nitrophenyl)methyl 2-(2-chloranyl-4-oxidanylidene-azetidin-1-yl)-3,3-bis(ethanoylsulfanyl)prop-2-enoate Openeye Name: (4-nitrophenyl)methyl 3,3-bis(acetylsulfanyl)-2-(2-chloro-4-oxo-azetidin-1-yl)prop-2-enoate CAS Name: 3,3-bis(acetylthio)-2-(2-chloro-4-oxo-1-azetidinyl)-2-propenoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 3,3-bis(acetylsulfanyl)-2-(2-chloro-4-oxoazetidin-1-yl)prop-2-enoate Traditional Name: 3,3-bis(acetylthio)-2-(2-chloro-4-keto-azetidin-1-yl)acrylic acid (4-nitrobenzyl) ester Formula: C17H15ClN2O7S2 MolecularWeight: 458.8932

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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)Cl)SC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C17H15ClN2O7S2/c1-9(21)28-17(29-10(2)22)15(19-13(18)7-14(19)23)16(24)27-8-11-3-5-12(6-4-11)20(25)26/h3-6,13H,7-8H2,1-2H3