2-[5-(hydroxymethyl)-2-methyl-3-oxidanyl-pyridin-4-yl]-1,3-thiazinane-4-carboxylic acid

Systemtic Name: 2-[5-(hydroxymethyl)-2-methyl-3-oxidanyl-pyridin-4-yl]-1,3-thiazinane-4-carboxylic acid Openeye Name: 2-[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridyl]-1,3-thiazinane-4-carboxylic acid CAS Name: 2-[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]-1,3-thiazinane-4-carboxylic acid IUPAC Name: 2-[3-hydroxy-5-(hydroxymethyl)-2-methylpyridin-4-yl]-1,3-thiazinane-4-carboxylic acid Traditional Name: 2-(3-hydroxy-2-methyl-5-methylol-4-pyridyl)-1,3-thiazinane-4-carboxylic acid Formula: C12H16N2O4S MolecularWeight: 284.33144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=C1O)C2NC(CCS2)C(=O)O)CO

Isomeric SMILES

CC1=NC=C(C(=C1O)C2NC(CCS2)C(=O)O)CO

InChI

InChI=1S/C12H16N2O4S/c1-6-10(16)9(7(5-15)4-13-6)11-14-8(12(17)18)2-3-19-11/h4,8,11,14-16H,2-3,5H2,1H3,(H,17,18)