(Z)-3-[6-methyl-5-oxidanyl-4-(sulfanylmethyl)pyridin-3-yl]prop-2-enoic acid

Systemtic Name: (Z)-3-[6-methyl-5-oxidanyl-4-(sulfanylmethyl)pyridin-3-yl]prop-2-enoic acid Openeye Name: (Z)-3-[5-hydroxy-6-methyl-4-(sulfanylmethyl)-3-pyridyl]prop-2-enoic acid CAS Name: (Z)-3-[5-hydroxy-4-(mercaptomethyl)-6-methyl-3-pyridinyl]-2-propenoic acid IUPAC Name: (Z)-3-[5-hydroxy-6-methyl-4-(sulfanylmethyl)pyridin-3-yl]prop-2-enoic acid Traditional Name: (Z)-3-[5-hydroxy-4-(mercaptomethyl)-6-methyl-3-pyridyl]acrylic acid Formula: C10H11NO3S MolecularWeight: 225.26424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=C1O)CS)C=CC(=O)O

Isomeric SMILES

CC1=NC=C(C(=C1O)CS)/C=C\C(=O)O

InChI

InChI=1S/C10H11NO3S/c1-6-10(14)8(5-15)7(4-11-6)2-3-9(12)13/h2-4,14-15H,5H2,1H3,(H,12,13)/b3-2-