ethyl 4-[2-(2-pyridin-2-ylethylsulfanyl)ethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-(2-pyridin-2-ylethylsulfanyl)ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[2-(2-pyridyl)ethylsulfanyl]acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[2-(2-pyridinyl)ethylthio]ethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(2-pyridin-2-ylethylsulfanyl)acetyl]amino]benzoate Traditional Name: 4-[[2-[2-(2-pyridyl)ethylthio]acetyl]amino]benzoic acid ethyl ester Formula: C18H20N2O3S MolecularWeight: 344.428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSCCC2=CC=CC=N2

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSCCC2=CC=CC=N2

InChI

InChI=1S/C18H20N2O3S/c1-2-23-18(22)14-6-8-16(9-7-14)20-17(21)13-24-12-10-15-5-3-4-11-19-15/h3-9,11H,2,10,12-13H2,1H3,(H,20,21)