methyl 5-oxidanylidene-2-(pyridin-4-ylmethylsulfanyl)oxolane-2-carboxylate

Systemtic Name: methyl 5-oxidanylidene-2-(pyridin-4-ylmethylsulfanyl)oxolane-2-carboxylate Openeye Name: methyl 5-oxo-2-(4-pyridylmethylsulfanyl)tetrahydrofuran-2-carboxylate CAS Name: 5-oxo-2-(pyridin-4-ylmethylthio)-2-oxolanecarboxylic acid methyl ester IUPAC Name: methyl 5-oxo-2-(pyridin-4-ylmethylsulfanyl)oxolane-2-carboxylate Traditional Name: 5-keto-2-(4-pyridylmethylthio)tetrahydrofuran-2-carboxylic acid methyl ester Formula: C12H13NO4S MolecularWeight: 267.30092

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CCC(=O)O1)SCC2=CC=NC=C2

Isomeric SMILES

COC(=O)C1(CCC(=O)O1)SCC2=CC=NC=C2

InChI

InChI=1S/C12H13NO4S/c1-16-11(15)12(5-2-10(14)17-12)18-8-9-3-6-13-7-4-9/h3-4,6-7H,2,5,8H2,1H3