5-oxidanylidene-2-(pyridin-2-ylmethylsulfanyl)oxolane-2-carboxylic acid

Systemtic Name: 5-oxidanylidene-2-(pyridin-2-ylmethylsulfanyl)oxolane-2-carboxylic acid Openeye Name: 5-oxo-2-(2-pyridylmethylsulfanyl)tetrahydrofuran-2-carboxylic acid CAS Name: 5-oxo-2-(2-pyridinylmethylthio)-2-oxolanecarboxylic acid IUPAC Name: 5-oxo-2-(pyridin-2-ylmethylsulfanyl)oxolane-2-carboxylic acid Traditional Name: 5-keto-2-(2-pyridylmethylthio)tetrahydrofuran-2-carboxylic acid Formula: C11H11NO4S MolecularWeight: 253.27434

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1=O)(C(=O)O)SCC2=CC=CC=N2

Isomeric SMILES

C1CC(OC1=O)(C(=O)O)SCC2=CC=CC=N2

InChI

InChI=1S/C11H11NO4S/c13-9-4-5-11(16-9,10(14)15)17-7-8-3-1-2-6-12-8/h1-3,6H,4-5,7H2,(H,14,15)