2-(2-pyridin-4-yl-1-sulfanyl-butoxy)pentanedioic acid

Systemtic Name: 2-(2-pyridin-4-yl-1-sulfanyl-butoxy)pentanedioic acid Openeye Name: 2-[2-(4-pyridyl)-1-sulfanyl-butoxy]pentanedioic acid CAS Name: 2-(1-mercapto-2-pyridin-4-ylbutoxy)pentanedioic acid IUPAC Name: 2-(2-pyridin-4-yl-1-sulfanylbutoxy)pentanedioic acid Traditional Name: 2-[1-mercapto-2-(4-pyridyl)butoxy]glutaric acid Formula: C14H19NO5S MolecularWeight: 313.36936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19NO5S/c1-2-10(9-5-7-15-8-6-9)14(21)20-11(13(18)19)3-4-12(16)17/h5-8,10-11,14,21H,2-4H2,1H3,(H,16,17)(H,18,19)