ethyl 2-[[4-(hydroxymethyl)-6-methyl-5-oxidanyl-pyridin-3-yl]methylsulfanyl]ethanoate hydrochloride

Systemtic Name: ethyl 2-[[4-(hydroxymethyl)-6-methyl-5-oxidanyl-pyridin-3-yl]methylsulfanyl]ethanoate hydrochloride Openeye Name: ethyl 2-[[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridyl]methylsulfanyl]acetate hydrochloride CAS Name: 2-[[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl]methylthio]acetic acid ethyl ester hydrochloride IUPAC Name: ethyl 2-[[5-hydroxy-4-(hydroxymethyl)-6-methylpyridin-3-yl]methylsulfanyl]acetate hydrochloride Traditional Name: 2-[(5-hydroxy-6-methyl-4-methylol-3-pyridyl)methylthio]acetic acid ethyl ester hydrochloride Formula: C12H18ClNO4S MolecularWeight: 307.79362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSCC1=CN=C(C(=C1CO)O)C.Cl

Isomeric SMILES

CCOC(=O)CSCC1=CN=C(C(=C1CO)O)C.Cl

InChI

InChI=1S/C12H17NO4S.ClH/c1-3-17-11(15)7-18-6-9-4-13-8(2)12(16)10(9)5-14;/h4,14,16H,3,5-7H2,1-2H3;1H