ethyl 3-[2-[butyl(ethanoyl)amino]ethylsulfanylmethyl]-4-oxidanylidene-4-pyridin-3-yl-butanoate

Systemtic Name: ethyl 3-[2-[butyl(ethanoyl)amino]ethylsulfanylmethyl]-4-oxidanylidene-4-pyridin-3-yl-butanoate Openeye Name: ethyl 3-[2-[acetyl(butyl)amino]ethylsulfanylmethyl]-4-oxo-4-(3-pyridyl)butanoate CAS Name: 3-[[2-[acetyl(butyl)amino]ethylthio]methyl]-4-oxo-4-(3-pyridinyl)butanoic acid ethyl ester IUPAC Name: ethyl 3-[2-[acetyl(butyl)amino]ethylsulfanylmethyl]-4-oxo-4-pyridin-3-ylbutanoate Traditional Name: 3-[[2-[acetyl(butyl)amino]ethylthio]methyl]-4-keto-4-(3-pyridyl)butyric acid ethyl ester Formula: C20H30N2O4S MolecularWeight: 394.5282

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCSCC(CC(=O)OCC)C(=O)C1=CN=CC=C1)C(=O)C

Isomeric SMILES

CCCCN(CCSCC(CC(=O)OCC)C(=O)C1=CN=CC=C1)C(=O)C

InChI

InChI=1S/C20H30N2O4S/c1-4-6-10-22(16(3)23)11-12-27-15-18(13-19(24)26-5-2)20(25)17-8-7-9-21-14-17/h7-9,14,18H,4-6,10-13,15H2,1-3H3