2-[(4-methanoyl-6-methyl-5-oxidanyl-pyridin-3-yl)methylsulfanyl]ethanoic acid

Systemtic Name: 2-[(4-methanoyl-6-methyl-5-oxidanyl-pyridin-3-yl)methylsulfanyl]ethanoic acid Openeye Name: 2-[(4-formyl-5-hydroxy-6-methyl-3-pyridyl)methylsulfanyl]acetic acid CAS Name: 2-[(4-formyl-5-hydroxy-6-methyl-3-pyridinyl)methylthio]acetic acid IUPAC Name: 2-[(4-formyl-5-hydroxy-6-methylpyridin-3-yl)methylsulfanyl]acetic acid Traditional Name: 2-[(4-formyl-5-hydroxy-6-methyl-3-pyridyl)methylthio]acetic acid Formula: C10H11NO4S MolecularWeight: 241.26364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=C1O)C=O)CSCC(=O)O

Isomeric SMILES

CC1=NC=C(C(=C1O)C=O)CSCC(=O)O

InChI

InChI=1S/C10H11NO4S/c1-6-10(15)8(3-12)7(2-11-6)4-16-5-9(13)14/h2-3,15H,4-5H2,1H3,(H,13,14)