ethyl (5-ethynyl-2-methyl-3-oxidanyl-pyridin-4-yl)methylsulfanylmethanoate

Systemtic Name: ethyl (5-ethynyl-2-methyl-3-oxidanyl-pyridin-4-yl)methylsulfanylmethanoate Openeye Name: ethyl (5-ethynyl-3-hydroxy-2-methyl-4-pyridyl)methylsulfanylformate CAS Name: [(5-ethynyl-3-hydroxy-2-methyl-4-pyridinyl)methylthio]formic acid ethyl ester IUPAC Name: ethyl (5-ethynyl-3-hydroxy-2-methylpyridin-4-yl)methylsulfanylformate Traditional Name: [(5-ethynyl-3-hydroxy-2-methyl-4-pyridyl)methylthio]formic acid ethyl ester Formula: C12H13NO3S MolecularWeight: 251.30152

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)SCC1=C(C(=NC=C1C#C)C)O

Isomeric SMILES

CCOC(=O)SCC1=C(C(=NC=C1C#C)C)O

InChI

InChI=1S/C12H13NO3S/c1-4-9-6-13-8(3)11(14)10(9)7-17-12(15)16-5-2/h1,6,14H,5,7H2,2-3H3