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

Systemtic Name: ethyl 3-[2-(cyclohexylamino)ethylsulfanylmethyl]-4-oxidanylidene-4-pyridin-3-yl-butanoate Openeye Name: ethyl 3-[2-(cyclohexylamino)ethylsulfanylmethyl]-4-oxo-4-(3-pyridyl)butanoate CAS Name: 3-[[2-(cyclohexylamino)ethylthio]methyl]-4-oxo-4-(3-pyridinyl)butanoic acid ethyl ester IUPAC Name: ethyl 3-[2-(cyclohexylamino)ethylsulfanylmethyl]-4-oxo-4-pyridin-3-ylbutanoate Traditional Name: 3-[[2-(cyclohexylamino)ethylthio]methyl]-4-keto-4-(3-pyridyl)butyric acid ethyl ester Formula: C20H30N2O3S MolecularWeight: 378.5288

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(CSCCNC1CCCCC1)C(=O)C2=CN=CC=C2

Isomeric SMILES

CCOC(=O)CC(CSCCNC1CCCCC1)C(=O)C2=CN=CC=C2

InChI

InChI=1S/C20H30N2O3S/c1-2-25-19(23)13-17(20(24)16-7-6-10-21-14-16)15-26-12-11-22-18-8-4-3-5-9-18/h6-7,10,14,17-18,22H,2-5,8-9,11-13,15H2,1H3