pyridin-4-ylsulfanyl 2-methyl-5-oxidanylidene-oxolane-2-carboxylate

Systemtic Name: pyridin-4-ylsulfanyl 2-methyl-5-oxidanylidene-oxolane-2-carboxylate Openeye Name: 4-pyridylsulfanyl 2-methyl-5-oxo-tetrahydrofuran-2-carboxylate CAS Name: 2-methyl-5-oxo-2-oxolanecarboxylic acid (pyridin-4-ylthio) ester IUPAC Name: pyridin-4-ylsulfanyl 2-methyl-5-oxooxolane-2-carboxylate Traditional Name: 5-keto-2-methyl-tetrahydrofuran-2-carboxylic acid (4-pyridylthio) ester Formula: C11H11NO4S MolecularWeight: 253.27434

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC(=O)O1)C(=O)OSC2=CC=NC=C2

Isomeric SMILES

CC1(CCC(=O)O1)C(=O)OSC2=CC=NC=C2

InChI

InChI=1S/C11H11NO4S/c1-11(5-2-9(13)15-11)10(14)16-17-8-3-6-12-7-4-8/h3-4,6-7H,2,5H2,1H3