2-(pyridin-4-ylmethyl)-3-sulfanyl-propanoic acid

Systemtic Name: 2-(pyridin-4-ylmethyl)-3-sulfanyl-propanoic acid Openeye Name: 2-(4-pyridylmethyl)-3-sulfanyl-propanoic acid CAS Name: 2-(mercaptomethyl)-3-pyridin-4-ylpropanoic acid IUPAC Name: 2-(pyridin-4-ylmethyl)-3-sulfanylpropanoic acid Traditional Name: 2-(mercaptomethyl)-3-(4-pyridyl)propionic acid Formula: C9H11NO2S MolecularWeight: 197.25414

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=CC=C1CC(CS)C(=O)O

Isomeric SMILES

C1=CN=CC=C1CC(CS)C(=O)O

InChI

InChI=1S/C9H11NO2S/c11-9(12)8(6-13)5-7-1-3-10-4-2-7/h1-4,8,13H,5-6H2,(H,11,12)