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

Systemtic Name: 2-(2-ethylsulfanyl-3-pyridin-4-yl-propyl)pentanedioic acid Openeye Name: 2-[2-ethylsulfanyl-3-(4-pyridyl)propyl]pentanedioic acid CAS Name: 2-[2-(ethylthio)-3-pyridin-4-ylpropyl]pentanedioic acid IUPAC Name: 2-(2-ethylsulfanyl-3-pyridin-4-ylpropyl)pentanedioic acid Traditional Name: 2-[2-(ethylthio)-3-(4-pyridyl)propyl]glutaric acid Formula: C15H21NO4S MolecularWeight: 311.39654

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(CC1=CC=NC=C1)CC(CCC(=O)O)C(=O)O

Isomeric SMILES

CCSC(CC1=CC=NC=C1)CC(CCC(=O)O)C(=O)O

InChI

InChI=1S/C15H21NO4S/c1-2-21-13(9-11-5-7-16-8-6-11)10-12(15(19)20)3-4-14(17)18/h5-8,12-13H,2-4,9-10H2,1H3,(H,17,18)(H,19,20)