4,5-bis(hydroxymethyl)-2-methyl-pyridin-3-ol; 3-ethanoyl-1,3-thiazolidine-4-carboxylic acid

Systemtic Name: 4,5-bis(hydroxymethyl)-2-methyl-pyridin-3-ol; 3-ethanoyl-1,3-thiazolidine-4-carboxylic acid Openeye Name: 3-acetylthiazolidine-4-carboxylic acid; 4,5-bis(hydroxymethyl)-2-methyl-pyridin-3-ol CAS Name: 3-acetyl-4-thiazolidinecarboxylic acid; 4,5-bis(hydroxymethyl)-2-methyl-3-pyridinol IUPAC Name: 3-acetyl-1,3-thiazolidine-4-carboxylic acid; 4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol Traditional Name: 3-acetylthiazolidine-4-carboxylic acid; 2-methyl-4,5-dimethylol-pyridin-3-ol Formula: C14H20N2O6S MolecularWeight: 344.3834

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=C1O)CO)CO.CC(=O)N1CSCC1C(=O)O

Isomeric SMILES

CC1=NC=C(C(=C1O)CO)CO.CC(=O)N1CSCC1C(=O)O

InChI

InChI=1S/C8H11NO3.C6H9NO3S/c1-5-8(12)7(4-11)6(3-10)2-9-5;1-4(8)7-3-11-2-5(7)6(9)10/h2,10-12H,3-4H2,1H3;5H,2-3H2,1H3,(H,9,10)