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

Systemtic Name: 2-(2-propylsulfanyl-3-pyridin-4-yl-propyl)pentanedioic acid Openeye Name: 2-[2-propylsulfanyl-3-(4-pyridyl)propyl]pentanedioic acid CAS Name: 2-[2-(propylthio)-3-pyridin-4-ylpropyl]pentanedioic acid IUPAC Name: 2-(2-propylsulfanyl-3-pyridin-4-ylpropyl)pentanedioic acid Traditional Name: 2-[2-(propylthio)-3-(4-pyridyl)propyl]glutaric acid Formula: C16H23NO4S MolecularWeight: 325.42312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23NO4S/c1-2-9-22-14(10-12-5-7-17-8-6-12)11-13(16(20)21)3-4-15(18)19/h5-8,13-14H,2-4,9-11H2,1H3,(H,18,19)(H,20,21)