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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1=O)(CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)OSC3=CC=NC=C3

Isomeric SMILES

C1CC(OC1=O)(CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)OSC3=CC=NC=C3

InChI

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