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

Systemtic Name: (4-nitrophenyl)methyl (2Z)-2-(2-methylsulfanyl-4-oxidanylidene-azetidin-1-yl)-2-(4-oxidanylidene-1,3-dithian-2-ylidene)ethanoate Openeye Name: (4-nitrophenyl)methyl (2Z)-2-(2-methylsulfanyl-4-oxo-azetidin-1-yl)-2-(4-oxo-1,3-dithian-2-ylidene)acetate CAS Name: (2Z)-2-[2-(methylthio)-4-oxo-1-azetidinyl]-2-(4-oxo-1,3-dithian-2-ylidene)acetic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl (2Z)-2-(2-methylsulfanyl-4-oxoazetidin-1-yl)-2-(4-oxo-1,3-dithian-2-ylidene)acetate Traditional Name: (2Z)-2-(4-keto-1,3-dithian-2-ylidene)-2-[2-keto-4-(methylthio)azetidin-1-yl]acetic acid (4-nitrobenzyl) ester Formula: C17H16N2O6S3 MolecularWeight: 440.51374

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Descriptors Computed from Structure

Canonical SMILES:

CSC1CC(=O)N1C(=C2SCCC(=O)S2)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CSC1CC(=O)N1/C(=C\2/SCCC(=O)S2)/C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H16N2O6S3/c1-26-13-8-12(20)18(13)15(17-27-7-6-14(21)28-17)16(22)25-9-10-2-4-11(5-3-10)19(23)24/h2-5,13H,6-9H2,1H3/b17-15-