(aminocarbonylamino) 2-(2-ethanoylsulfanylethyl)-5-pyridin-2-yl-pentanoate

Systemtic Name: (aminocarbonylamino) 2-(2-ethanoylsulfanylethyl)-5-pyridin-2-yl-pentanoate Openeye Name: ureido 2-(2-acetylsulfanylethyl)-5-(2-pyridyl)pentanoate CAS Name: 2-[2-(acetylthio)ethyl]-5-(2-pyridinyl)pentanoic acid (carbamoylamino) ester IUPAC Name: (carbamoylamino) 2-(2-acetylsulfanylethyl)-5-pyridin-2-ylpentanoate Traditional Name: 2-[2-(acetylthio)ethyl]-5-(2-pyridyl)valeric acid ureido ester Formula: C15H21N3O4S MolecularWeight: 339.40994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCC(CCCC1=CC=CC=N1)C(=O)ONC(=O)N

Isomeric SMILES

CC(=O)SCCC(CCCC1=CC=CC=N1)C(=O)ONC(=O)N

InChI

InChI=1S/C15H21N3O4S/c1-11(19)23-10-8-12(14(20)22-18-15(16)21)5-4-7-13-6-2-3-9-17-13/h2-3,6,9,12H,4-5,7-8,10H2,1H3,(H3,16,18,21)