2-ethanoylsulfanylethyl 3-(phenethylcarbamoylamino)propanoate

Systemtic Name: 2-ethanoylsulfanylethyl 3-(phenethylcarbamoylamino)propanoate Openeye Name: 2-acetylsulfanylethyl 3-(phenethylcarbamoylamino)propanoate CAS Name: 3-[[oxo-(phenethylamino)methyl]amino]propanoic acid 2-(acetylthio)ethyl ester IUPAC Name: 2-acetylsulfanylethyl 3-(phenethylcarbamoylamino)propanoate Traditional Name: 3-(phenethylcarbamoylamino)propionic acid 2-(acetylthio)ethyl ester Formula: C16H22N2O4S MolecularWeight: 338.42188

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCOC(=O)CCNC(=O)NCCC1=CC=CC=C1

Isomeric SMILES

CC(=O)SCCOC(=O)CCNC(=O)NCCC1=CC=CC=C1

InChI

InChI=1S/C16H22N2O4S/c1-13(19)23-12-11-22-15(20)8-10-18-16(21)17-9-7-14-5-3-2-4-6-14/h2-6H,7-12H2,1H3,(H2,17,18,21)