(aminocarbonylamino) 2-(2-ethanoylsulfanylethyl)-5-pyridin-4-yl-pentanoate

Systemtic Name: (aminocarbonylamino) 2-(2-ethanoylsulfanylethyl)-5-pyridin-4-yl-pentanoate Openeye Name: ureido 2-(2-acetylsulfanylethyl)-5-(4-pyridyl)pentanoate CAS Name: 2-[2-(acetylthio)ethyl]-5-pyridin-4-ylpentanoic acid (carbamoylamino) ester IUPAC Name: (carbamoylamino) 2-(2-acetylsulfanylethyl)-5-pyridin-4-ylpentanoate Traditional Name: 2-[2-(acetylthio)ethyl]-5-(4-pyridyl)valeric acid ureido ester Formula: C15H21N3O4S MolecularWeight: 339.40994

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCC(CCCC1=CC=NC=C1)C(=O)ONC(=O)N

Isomeric SMILES

CC(=O)SCCC(CCCC1=CC=NC=C1)C(=O)ONC(=O)N

InChI

InChI=1S/C15H21N3O4S/c1-11(19)23-10-7-13(14(20)22-18-15(16)21)4-2-3-12-5-8-17-9-6-12/h5-6,8-9,13H,2-4,7,10H2,1H3,(H3,16,18,21)