2-(2-pyridin-4-yl-2-sulfanyl-propoxy)pentanedioic acid

Systemtic Name: 2-(2-pyridin-4-yl-2-sulfanyl-propoxy)pentanedioic acid Openeye Name: 2-[2-(4-pyridyl)-2-sulfanyl-propoxy]pentanedioic acid CAS Name: 2-(2-mercapto-2-pyridin-4-ylpropoxy)pentanedioic acid IUPAC Name: 2-(2-pyridin-4-yl-2-sulfanylpropoxy)pentanedioic acid Traditional Name: 2-[2-mercapto-2-(4-pyridyl)propoxy]glutaric acid Formula: C13H17NO5S MolecularWeight: 299.34278

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC(CCC(=O)O)C(=O)O)(C1=CC=NC=C1)S

Isomeric SMILES

CC(COC(CCC(=O)O)C(=O)O)(C1=CC=NC=C1)S

InChI

InChI=1S/C13H17NO5S/c1-13(20,9-4-6-14-7-5-9)8-19-10(12(17)18)2-3-11(15)16/h4-7,10,20H,2-3,8H2,1H3,(H,15,16)(H,17,18)