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

Systemtic Name: ethyl 3-[2-[butyl(3-cyclopentylpropanoyl)amino]ethylsulfanylmethyl]-4-oxidanylidene-4-pyridin-3-yl-butanoate Openeye Name: ethyl 3-[2-[butyl(3-cyclopentylpropanoyl)amino]ethylsulfanylmethyl]-4-oxo-4-(3-pyridyl)butanoate CAS Name: 3-[[2-[butyl-(3-cyclopentyl-1-oxopropyl)amino]ethylthio]methyl]-4-oxo-4-(3-pyridinyl)butanoic acid ethyl ester IUPAC Name: ethyl 3-[2-[butyl(3-cyclopentylpropanoyl)amino]ethylsulfanylmethyl]-4-oxo-4-pyridin-3-ylbutanoate Traditional Name: 3-[[2-[butyl(3-cyclopentylpropanoyl)amino]ethylthio]methyl]-4-keto-4-(3-pyridyl)butyric acid ethyl ester Formula: C26H40N2O4S MolecularWeight: 476.6718

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCSCC(CC(=O)OCC)C(=O)C1=CN=CC=C1)C(=O)CCC2CCCC2

Isomeric SMILES

CCCCN(CCSCC(CC(=O)OCC)C(=O)C1=CN=CC=C1)C(=O)CCC2CCCC2

InChI

InChI=1S/C26H40N2O4S/c1-3-5-15-28(24(29)13-12-21-9-6-7-10-21)16-17-33-20-23(18-25(30)32-4-2)26(31)22-11-8-14-27-19-22/h8,11,14,19,21,23H,3-7,9-10,12-13,15-18,20H2,1-2H3