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

Systemtic Name: 2-(2-pyridin-4-yl-1-sulfanyl-ethyl)pentanedioic acid Openeye Name: 2-[2-(4-pyridyl)-1-sulfanyl-ethyl]pentanedioic acid CAS Name: 2-(1-mercapto-2-pyridin-4-ylethyl)pentanedioic acid IUPAC Name: 2-(2-pyridin-4-yl-1-sulfanylethyl)pentanedioic acid Traditional Name: 2-[1-mercapto-2-(4-pyridyl)ethyl]glutaric acid Formula: C12H15NO4S MolecularWeight: 269.3168

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=CC=C1CC(C(CCC(=O)O)C(=O)O)S

Isomeric SMILES

C1=CN=CC=C1CC(C(CCC(=O)O)C(=O)O)S

InChI

InChI=1S/C12H15NO4S/c14-11(15)2-1-9(12(16)17)10(18)7-8-3-5-13-6-4-8/h3-6,9-10,18H,1-2,7H2,(H,14,15)(H,16,17)