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

Systemtic Name: S-[[4-(hydroxymethyl)-6-methyl-5-oxidanyl-pyridin-3-yl]methyl] ethanethioate Openeye Name: S-[[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridyl]methyl] ethanethioate CAS Name: ethanethioic acid S-[[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl]methyl] ester IUPAC Name: S-[[5-hydroxy-4-(hydroxymethyl)-6-methylpyridin-3-yl]methyl] ethanethioate Traditional Name: ethanethioic acid S-[(5-hydroxy-6-methyl-4-methylol-3-pyridyl)methyl] ester Formula: C10H13NO3S MolecularWeight: 227.28012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=C1O)CO)CSC(=O)C

Isomeric SMILES

CC1=NC=C(C(=C1O)CO)CSC(=O)C

InChI

InChI=1S/C10H13NO3S/c1-6-10(14)9(4-12)8(3-11-6)5-15-7(2)13/h3,12,14H,4-5H2,1-2H3