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

Systemtic Name: ethyl 2-[[4-(hydroxymethyl)-6-methyl-5-oxidanyl-pyridin-3-yl]methylsulfanyl]ethanoate Openeye Name: ethyl 2-[[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridyl]methylsulfanyl]acetate CAS Name: 2-[[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl]methylthio]acetic acid ethyl ester IUPAC Name: ethyl 2-[[5-hydroxy-4-(hydroxymethyl)-6-methylpyridin-3-yl]methylsulfanyl]acetate Traditional Name: 2-[(5-hydroxy-6-methyl-4-methylol-3-pyridyl)methylthio]acetic acid ethyl ester Formula: C12H17NO4S MolecularWeight: 271.33268

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17NO4S/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