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

Systemtic Name: (4-nitrophenyl)methyl (E)-2-(2-chloranyl-4-oxidanylidene-azetidin-1-yl)-3-ethanoylsulfanyl-3-(2-ethoxyethylsulfanyl)prop-2-enoate Openeye Name: (4-nitrophenyl)methyl (E)-3-acetylsulfanyl-2-(2-chloro-4-oxo-azetidin-1-yl)-3-(2-ethoxyethylsulfanyl)prop-2-enoate CAS Name: (E)-3-(acetylthio)-2-(2-chloro-4-oxo-1-azetidinyl)-3-(2-ethoxyethylthio)-2-propenoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl (E)-3-acetylsulfanyl-2-(2-chloro-4-oxoazetidin-1-yl)-3-(2-ethoxyethylsulfanyl)prop-2-enoate Traditional Name: (E)-3-(acetylthio)-2-(2-chloro-4-keto-azetidin-1-yl)-3-(2-ethoxyethylthio)acrylic acid (4-nitrobenzyl) ester Formula: C19H21ClN2O7S2 MolecularWeight: 488.96224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21ClN2O7S2/c1-3-28-8-9-30-19(31-12(2)23)17(21-15(20)10-16(21)24)18(25)29-11-13-4-6-14(7-5-13)22(26)27/h4-7,15H,3,8-11H2,1-2H3/b19-17+