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

Systemtic Name: (4-nitrophenyl)methyl 5-oxidanylidene-2-pyridin-2-ylsulfanyl-oxolane-2-carboxylate Openeye Name: (4-nitrophenyl)methyl 5-oxo-2-(2-pyridylsulfanyl)tetrahydrofuran-2-carboxylate CAS Name: 5-oxo-2-(2-pyridinylthio)-2-oxolanecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 5-oxo-2-pyridin-2-ylsulfanyloxolane-2-carboxylate Traditional Name: 5-keto-2-(2-pyridylthio)tetrahydrofuran-2-carboxylic acid (4-nitrobenzyl) ester Formula: C17H14N2O6S MolecularWeight: 374.36786

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1=O)(C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])SC3=CC=CC=N3

Isomeric SMILES

C1CC(OC1=O)(C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])SC3=CC=CC=N3

InChI

InChI=1S/C17H14N2O6S/c20-15-8-9-17(25-15,26-14-3-1-2-10-18-14)16(21)24-11-12-4-6-13(7-5-12)19(22)23/h1-7,10H,8-9,11H2