methyl 6-(2-pyridin-4-ylsulfanylethanoylamino)hexanoate

Systemtic Name: methyl 6-(2-pyridin-4-ylsulfanylethanoylamino)hexanoate Openeye Name: methyl 6-[[2-(4-pyridylsulfanyl)acetyl]amino]hexanoate CAS Name: 6-[[1-oxo-2-(pyridin-4-ylthio)ethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[(2-pyridin-4-ylsulfanylacetyl)amino]hexanoate Traditional Name: 6-[[2-(4-pyridylthio)acetyl]amino]hexanoic acid methyl ester Formula: C14H20N2O3S MolecularWeight: 296.3852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCNC(=O)CSC1=CC=NC=C1

Isomeric SMILES

COC(=O)CCCCCNC(=O)CSC1=CC=NC=C1

InChI

InChI=1S/C14H20N2O3S/c1-19-14(18)5-3-2-4-8-16-13(17)11-20-12-6-9-15-10-7-12/h6-7,9-10H,2-5,8,11H2,1H3,(H,16,17)