ethyl 3-[2-(butylamino)ethylsulfanylmethyl]-4-oxidanylidene-4-pyridin-3-yl-butanoate

Systemtic Name: ethyl 3-[2-(butylamino)ethylsulfanylmethyl]-4-oxidanylidene-4-pyridin-3-yl-butanoate Openeye Name: ethyl 3-[2-(butylamino)ethylsulfanylmethyl]-4-oxo-4-(3-pyridyl)butanoate CAS Name: 3-[[2-(butylamino)ethylthio]methyl]-4-oxo-4-(3-pyridinyl)butanoic acid ethyl ester IUPAC Name: ethyl 3-[2-(butylamino)ethylsulfanylmethyl]-4-oxo-4-pyridin-3-ylbutanoate Traditional Name: 3-[[2-(butylamino)ethylthio]methyl]-4-keto-4-(3-pyridyl)butyric acid ethyl ester Formula: C18H28N2O3S MolecularWeight: 352.49152

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNCCSCC(CC(=O)OCC)C(=O)C1=CN=CC=C1

Isomeric SMILES

CCCCNCCSCC(CC(=O)OCC)C(=O)C1=CN=CC=C1

InChI

InChI=1S/C18H28N2O3S/c1-3-5-8-19-10-11-24-14-16(12-17(21)23-4-2)18(22)15-7-6-9-20-13-15/h6-7,9,13,16,19H,3-5,8,10-12,14H2,1-2H3