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

Systemtic Name: (4-nitrophenyl)methyl (2E)-2-(2-methylsulfanyl-4-oxidanylidene-azetidin-1-yl)-2-(4-oxidanyl-1,3-dithiolan-2-ylidene)ethanoate Openeye Name: (4-nitrophenyl)methyl (2E)-2-(4-hydroxy-1,3-dithiolan-2-ylidene)-2-(2-methylsulfanyl-4-oxo-azetidin-1-yl)acetate CAS Name: (2E)-2-(4-hydroxy-1,3-dithiolan-2-ylidene)-2-[2-(methylthio)-4-oxo-1-azetidinyl]acetic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl (2E)-2-(4-hydroxy-1,3-dithiolan-2-ylidene)-2-(2-methylsulfanyl-4-oxoazetidin-1-yl)acetate Traditional Name: (2E)-2-(4-hydroxy-1,3-dithiolan-2-ylidene)-2-[2-keto-4-(methylthio)azetidin-1-yl]acetic acid (4-nitrobenzyl) ester Formula: C16H16N2O6S3 MolecularWeight: 428.50304

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Descriptors Computed from Structure

Canonical SMILES:

CSC1CC(=O)N1C(=C2SCC(S2)O)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C16H16N2O6S3/c1-25-12-6-11(19)17(12)14(16-26-8-13(20)27-16)15(21)24-7-9-2-4-10(5-3-9)18(22)23/h2-5,12-13,20H,6-8H2,1H3/b16-14+