methyl 2-[[5-(hydroxymethyl)-2-methyl-3-oxidanyl-pyridin-4-yl]methylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl 2-[[5-(hydroxymethyl)-2-methyl-3-oxidanyl-pyridin-4-yl]methylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl 2-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridyl]methylamino]-4-methylsulfanyl-butanoate CAS Name: 2-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylamino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-[[3-hydroxy-5-(hydroxymethyl)-2-methylpyridin-4-yl]methylamino]-4-methylsulfanylbutanoate Traditional Name: 2-[(3-hydroxy-2-methyl-5-methylol-4-pyridyl)methylamino]-4-(methylthio)butyric acid methyl ester Formula: C14H22N2O4S MolecularWeight: 314.40048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=C1O)CNC(CCSC)C(=O)OC)CO

Isomeric SMILES

CC1=NC=C(C(=C1O)CNC(CCSC)C(=O)OC)CO

InChI

InChI=1S/C14H22N2O4S/c1-9-13(18)11(10(8-17)6-15-9)7-16-12(4-5-21-3)14(19)20-2/h6,12,16-18H,4-5,7-8H2,1-3H3