4-(2-pyridin-4-ylsulfanylethanoylamino)butanoic acid

Systemtic Name: 4-(2-pyridin-4-ylsulfanylethanoylamino)butanoic acid Openeye Name: 4-[[2-(4-pyridylsulfanyl)acetyl]amino]butanoic acid CAS Name: 4-[[1-oxo-2-(pyridin-4-ylthio)ethyl]amino]butanoic acid IUPAC Name: 4-[(2-pyridin-4-ylsulfanylacetyl)amino]butanoic acid Traditional Name: 4-[[2-(4-pyridylthio)acetyl]amino]butyric acid Formula: C11H14N2O3S MolecularWeight: 254.30546

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CN=CC=C1SCC(=O)NCCCC(=O)O

Isomeric SMILES

C1=CN=CC=C1SCC(=O)NCCCC(=O)O

InChI

InChI=1S/C11H14N2O3S/c14-10(13-5-1-2-11(15)16)8-17-9-3-6-12-7-4-9/h3-4,6-7H,1-2,5,8H2,(H,13,14)(H,15,16)