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

Systemtic Name: 2-(2-pyridin-4-yl-2-sulfanyl-ethoxy)pentanedioic acid Openeye Name: 2-[2-(4-pyridyl)-2-sulfanyl-ethoxy]pentanedioic acid CAS Name: 2-(2-mercapto-2-pyridin-4-ylethoxy)pentanedioic acid IUPAC Name: 2-(2-pyridin-4-yl-2-sulfanylethoxy)pentanedioic acid Traditional Name: 2-[2-mercapto-2-(4-pyridyl)ethoxy]glutaric acid Formula: C12H15NO5S MolecularWeight: 285.3162

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15NO5S/c14-11(15)2-1-9(12(16)17)18-7-10(19)8-3-5-13-6-4-8/h3-6,9-10,19H,1-2,7H2,(H,14,15)(H,16,17)