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

Systemtic Name: (4-nitrophenyl)methyl (Z)-2-(2-chloranyl-4-oxidanylidene-azetidin-1-yl)-3-ethanoylsulfanyl-3-(2-methoxyethylsulfanyl)prop-2-enoate Openeye Name: (4-nitrophenyl)methyl (Z)-3-acetylsulfanyl-2-(2-chloro-4-oxo-azetidin-1-yl)-3-(2-methoxyethylsulfanyl)prop-2-enoate CAS Name: (Z)-3-(acetylthio)-2-(2-chloro-4-oxo-1-azetidinyl)-3-(2-methoxyethylthio)-2-propenoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl (Z)-3-acetylsulfanyl-2-(2-chloro-4-oxoazetidin-1-yl)-3-(2-methoxyethylsulfanyl)prop-2-enoate Traditional Name: (Z)-3-(acetylthio)-2-(2-chloro-4-keto-azetidin-1-yl)-3-(2-methoxyethylthio)acrylic acid (4-nitrobenzyl) ester Formula: C18H19ClN2O7S2 MolecularWeight: 474.93566

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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)SCCOC

Isomeric SMILES

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

InChI

InChI=1S/C18H19ClN2O7S2/c1-11(22)30-18(29-8-7-27-2)16(20-14(19)9-15(20)23)17(24)28-10-12-3-5-13(6-4-12)21(25)26/h3-6,14H,7-10H2,1-2H3/b18-16-