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

Systemtic Name: ethyl 3-[2-[butyl(cyclohexylcarbamoyl)amino]ethylsulfanylmethyl]-4-oxidanylidene-4-pyridin-3-yl-butanoate Openeye Name: ethyl 3-[2-[butyl(cyclohexylcarbamoyl)amino]ethylsulfanylmethyl]-4-oxo-4-(3-pyridyl)butanoate CAS Name: 3-[[2-[butyl-[(cyclohexylamino)-oxomethyl]amino]ethylthio]methyl]-4-oxo-4-(3-pyridinyl)butanoic acid ethyl ester IUPAC Name: ethyl 3-[2-[butyl(cyclohexylcarbamoyl)amino]ethylsulfanylmethyl]-4-oxo-4-pyridin-3-ylbutanoate Traditional Name: 3-[[2-[butyl(cyclohexylcarbamoyl)amino]ethylthio]methyl]-4-keto-4-(3-pyridyl)butyric acid ethyl ester Formula: C25H39N3O4S MolecularWeight: 477.65986

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCSCC(CC(=O)OCC)C(=O)C1=CN=CC=C1)C(=O)NC2CCCCC2

Isomeric SMILES

CCCCN(CCSCC(CC(=O)OCC)C(=O)C1=CN=CC=C1)C(=O)NC2CCCCC2

InChI

InChI=1S/C25H39N3O4S/c1-3-5-14-28(25(31)27-22-11-7-6-8-12-22)15-16-33-19-21(17-23(29)32-4-2)24(30)20-10-9-13-26-18-20/h9-10,13,18,21-22H,3-8,11-12,14-17,19H2,1-2H3,(H,27,31)