2-[2-methyl-3-oxidanyl-4-(sulfanylmethyl)-2H-pyridin-3-yl]ethanoic acid

Systemtic Name: 2-[2-methyl-3-oxidanyl-4-(sulfanylmethyl)-2H-pyridin-3-yl]ethanoic acid Openeye Name: 2-[3-hydroxy-2-methyl-4-(sulfanylmethyl)-2H-pyridin-3-yl]acetic acid CAS Name: 2-[3-hydroxy-4-(mercaptomethyl)-2-methyl-2H-pyridin-3-yl]acetic acid IUPAC Name: 2-[3-hydroxy-2-methyl-4-(sulfanylmethyl)-2H-pyridin-3-yl]acetic acid Traditional Name: 2-[3-hydroxy-4-(mercaptomethyl)-2-methyl-2H-pyridin-3-yl]acetic acid Formula: C9H13NO3S MolecularWeight: 215.26942

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(=CC=N1)CS)(CC(=O)O)O

Isomeric SMILES

CC1C(C(=CC=N1)CS)(CC(=O)O)O

InChI

InChI=1S/C9H13NO3S/c1-6-9(13,4-8(11)12)7(5-14)2-3-10-6/h2-3,6,13-14H,4-5H2,1H3,(H,11,12)