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

Systemtic Name: 2-(2-pyridin-4-yl-1-sulfanyl-butyl)pentanedioic acid Openeye Name: 2-[2-(4-pyridyl)-1-sulfanyl-butyl]pentanedioic acid CAS Name: 2-(1-mercapto-2-pyridin-4-ylbutyl)pentanedioic acid IUPAC Name: 2-(2-pyridin-4-yl-1-sulfanylbutyl)pentanedioic acid Traditional Name: 2-[1-mercapto-2-(4-pyridyl)butyl]glutaric acid Formula: C14H19NO4S MolecularWeight: 297.36996

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19NO4S/c1-2-10(9-5-7-15-8-6-9)13(20)11(14(18)19)3-4-12(16)17/h5-8,10-11,13,20H,2-4H2,1H3,(H,16,17)(H,18,19)