(2S)-2-(5-cyanopyridin-2-yl)sulfanylpropanoic acid

Systemtic Name: (2S)-2-(5-cyanopyridin-2-yl)sulfanylpropanoic acid Openeye Name: (2S)-2-[(5-cyano-2-pyridyl)sulfanyl]propanoic acid CAS Name: (2S)-2-[(5-cyano-2-pyridinyl)thio]propanoic acid IUPAC Name: (2S)-2-(5-cyanopyridin-2-yl)sulfanylpropanoic acid Traditional Name: (2S)-2-[(5-cyano-2-pyridyl)thio]propionic acid Formula: C9H8N2O2S MolecularWeight: 208.23702

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SC1=NC=C(C=C1)C#N

Isomeric SMILES

C[C@@H](C(=O)O)SC1=NC=C(C=C1)C#N

InChI

InChI=1S/C9H8N2O2S/c1-6(9(12)13)14-8-3-2-7(4-10)5-11-8/h2-3,5-6H,1H3,(H,12,13)/t6-/m0/s1