S-[(4,6-dimethyl-5-oxidanyl-pyridin-3-yl)methyl] ethanethioate

Systemtic Name: S-[(4,6-dimethyl-5-oxidanyl-pyridin-3-yl)methyl] ethanethioate Openeye Name: S-[(5-hydroxy-4,6-dimethyl-3-pyridyl)methyl] ethanethioate CAS Name: ethanethioic acid S-[(5-hydroxy-4,6-dimethyl-3-pyridinyl)methyl] ester IUPAC Name: S-[(5-hydroxy-4,6-dimethylpyridin-3-yl)methyl] ethanethioate Traditional Name: ethanethioic acid S-[(5-hydroxy-4,6-dimethyl-3-pyridyl)methyl] ester Formula: C10H13NO2S MolecularWeight: 211.28072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC=C1CSC(=O)C)C)O

Isomeric SMILES

CC1=C(C(=NC=C1CSC(=O)C)C)O

InChI

InChI=1S/C10H13NO2S/c1-6-9(5-14-8(3)12)4-11-7(2)10(6)13/h4,13H,5H2,1-3H3