pyridin-2-ylsulfanyl 5-oxidanylidene-2-(phenylmethyl)oxolane-2-carboxylate

Systemtic Name: pyridin-2-ylsulfanyl 5-oxidanylidene-2-(phenylmethyl)oxolane-2-carboxylate Openeye Name: 2-pyridylsulfanyl 2-benzyl-5-oxo-tetrahydrofuran-2-carboxylate CAS Name: 5-oxo-2-(phenylmethyl)-2-oxolanecarboxylic acid (2-pyridinylthio) ester IUPAC Name: pyridin-2-ylsulfanyl 2-benzyl-5-oxooxolane-2-carboxylate Traditional Name: 2-benzyl-5-keto-tetrahydrofuran-2-carboxylic acid (2-pyridylthio) ester Formula: C17H15NO4S MolecularWeight: 329.3703

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1=O)(CC2=CC=CC=C2)C(=O)OSC3=CC=CC=N3

Isomeric SMILES

C1CC(OC1=O)(CC2=CC=CC=C2)C(=O)OSC3=CC=CC=N3

InChI

InChI=1S/C17H15NO4S/c19-15-9-10-17(21-15,12-13-6-2-1-3-7-13)16(20)22-23-14-8-4-5-11-18-14/h1-8,11H,9-10,12H2