2-(3-pyridin-4-yl-3-sulfanyl-propyl)pentanedioic acid

Systemtic Name: 2-(3-pyridin-4-yl-3-sulfanyl-propyl)pentanedioic acid Openeye Name: 2-[3-(4-pyridyl)-3-sulfanyl-propyl]pentanedioic acid CAS Name: 2-(3-mercapto-3-pyridin-4-ylpropyl)pentanedioic acid IUPAC Name: 2-(3-pyridin-4-yl-3-sulfanylpropyl)pentanedioic acid Traditional Name: 2-[3-mercapto-3-(4-pyridyl)propyl]glutaric acid Formula: C13H17NO4S MolecularWeight: 283.34338

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=CC=C1C(CCC(CCC(=O)O)C(=O)O)S

Isomeric SMILES

C1=CN=CC=C1C(CCC(CCC(=O)O)C(=O)O)S

InChI

InChI=1S/C13H17NO4S/c15-12(16)4-2-10(13(17)18)1-3-11(19)9-5-7-14-8-6-9/h5-8,10-11,19H,1-4H2,(H,15,16)(H,17,18)