(4-nitrophenyl)methyl (2Z)-2-(2-methylsulfanyl-4-oxidanylidene-azetidin-1-yl)-2-(4-oxidanyl-4-phenyl-1,3-dithiolan-2-ylidene)ethanoate

Systemtic Name: (4-nitrophenyl)methyl (2Z)-2-(2-methylsulfanyl-4-oxidanylidene-azetidin-1-yl)-2-(4-oxidanyl-4-phenyl-1,3-dithiolan-2-ylidene)ethanoate Openeye Name: (4-nitrophenyl)methyl (2Z)-2-(4-hydroxy-4-phenyl-1,3-dithiolan-2-ylidene)-2-(2-methylsulfanyl-4-oxo-azetidin-1-yl)acetate CAS Name: (2Z)-2-(4-hydroxy-4-phenyl-1,3-dithiolan-2-ylidene)-2-[2-(methylthio)-4-oxo-1-azetidinyl]acetic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl (2Z)-2-(4-hydroxy-4-phenyl-1,3-dithiolan-2-ylidene)-2-(2-methylsulfanyl-4-oxoazetidin-1-yl)acetate Traditional Name: (2Z)-2-(4-hydroxy-4-phenyl-1,3-dithiolan-2-ylidene)-2-[2-keto-4-(methylthio)azetidin-1-yl]acetic acid (4-nitrobenzyl) ester Formula: C22H20N2O6S3 MolecularWeight: 504.599

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Descriptors Computed from Structure

Canonical SMILES:

CSC1CC(=O)N1C(=C2SCC(S2)(C3=CC=CC=C3)O)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CSC1CC(=O)N1/C(=C\2/SCC(S2)(C3=CC=CC=C3)O)/C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H20N2O6S3/c1-31-18-11-17(25)23(18)19(20(26)30-12-14-7-9-16(10-8-14)24(28)29)21-32-13-22(27,33-21)15-5-3-2-4-6-15/h2-10,18,27H,11-13H2,1H3/b21-19-