(4-nitrophenyl)methyl 5-oxidanylidene-2-(pyridin-2-ylmethylsulfanyl)oxolane-2-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 5-oxidanylidene-2-(pyridin-2-ylmethylsulfanyl)oxolane-2-carboxylate Openeye Name: (4-nitrophenyl)methyl 5-oxo-2-(2-pyridylmethylsulfanyl)tetrahydrofuran-2-carboxylate CAS Name: 5-oxo-2-(2-pyridinylmethylthio)-2-oxolanecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 5-oxo-2-(pyridin-2-ylmethylsulfanyl)oxolane-2-carboxylate Traditional Name: 5-keto-2-(2-pyridylmethylthio)tetrahydrofuran-2-carboxylic acid (4-nitrobenzyl) ester Formula: C18H16N2O6S MolecularWeight: 388.39444

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1=O)(C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])SCC3=CC=CC=N3

Isomeric SMILES

C1CC(OC1=O)(C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])SCC3=CC=CC=N3

InChI

InChI=1S/C18H16N2O6S/c21-16-8-9-18(26-16,27-12-14-3-1-2-10-19-14)17(22)25-11-13-4-6-15(7-5-13)20(23)24/h1-7,10H,8-9,11-12H2