7-pyridin-2-yl-2-sulfanyl-heptanoic acid

Systemtic Name: 7-pyridin-2-yl-2-sulfanyl-heptanoic acid Openeye Name: 7-(2-pyridyl)-2-sulfanyl-heptanoic acid CAS Name: 2-mercapto-7-(2-pyridinyl)heptanoic acid IUPAC Name: 7-pyridin-2-yl-2-sulfanylheptanoic acid Traditional Name: 2-mercapto-7-(2-pyridyl)enanthic acid Formula: C12H17NO2S MolecularWeight: 239.33388

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)CCCCCC(C(=O)O)S

Isomeric SMILES

C1=CC=NC(=C1)CCCCCC(C(=O)O)S

InChI

InChI=1S/C12H17NO2S/c14-12(15)11(16)8-3-1-2-6-10-7-4-5-9-13-10/h4-5,7,9,11,16H,1-3,6,8H2,(H,14,15)