butyl 4-(2-pyridin-2-ylsulfanylethanoylamino)benzoate

Systemtic Name: butyl 4-(2-pyridin-2-ylsulfanylethanoylamino)benzoate Openeye Name: butyl 4-[[2-(2-pyridylsulfanyl)acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-(2-pyridinylthio)ethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[(2-pyridin-2-ylsulfanylacetyl)amino]benzoate Traditional Name: 4-[[2-(2-pyridylthio)acetyl]amino]benzoic acid butyl ester Formula: C18H20N2O3S MolecularWeight: 344.428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=CC=CC=N2

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=CC=CC=N2

InChI

InChI=1S/C18H20N2O3S/c1-2-3-12-23-18(22)14-7-9-15(10-8-14)20-16(21)13-24-17-6-4-5-11-19-17/h4-11H,2-3,12-13H2,1H3,(H,20,21)