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

Systemtic Name: 2-(2-butylsulfanyl-3-pyridin-4-yl-propyl)pentanedioic acid Openeye Name: 2-[2-butylsulfanyl-3-(4-pyridyl)propyl]pentanedioic acid CAS Name: 2-[2-(butylthio)-3-pyridin-4-ylpropyl]pentanedioic acid IUPAC Name: 2-(2-butylsulfanyl-3-pyridin-4-ylpropyl)pentanedioic acid Traditional Name: 2-[2-(butylthio)-3-(4-pyridyl)propyl]glutaric acid Formula: C17H25NO4S MolecularWeight: 339.4497

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25NO4S/c1-2-3-10-23-15(11-13-6-8-18-9-7-13)12-14(17(21)22)4-5-16(19)20/h6-9,14-15H,2-5,10-12H2,1H3,(H,19,20)(H,21,22)