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

Systemtic Name: ethyl 2-[[4-(hydroxymethyl)-6-methyl-5-oxidanyl-pyridin-3-yl]methylsulfanylcarbonylamino]ethanoate Openeye Name: ethyl 2-[[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridyl]methylsulfanylcarbonylamino]acetate CAS Name: 2-[[[[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl]methylthio]-oxomethyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[5-hydroxy-4-(hydroxymethyl)-6-methylpyridin-3-yl]methylsulfanylcarbonylamino]acetate Traditional Name: 2-[[(5-hydroxy-6-methyl-4-methylol-3-pyridyl)methylthio]carbonylamino]acetic acid ethyl ester Formula: C13H18N2O5S MolecularWeight: 314.35742

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC(=O)SCC1=CN=C(C(=C1CO)O)C

Isomeric SMILES

CCOC(=O)CNC(=O)SCC1=CN=C(C(=C1CO)O)C

InChI

InChI=1S/C13H18N2O5S/c1-3-20-11(17)5-15-13(19)21-7-9-4-14-8(2)12(18)10(9)6-16/h4,16,18H,3,5-7H2,1-2H3,(H,15,19)