ethyl 3-[2-[cyclohexyl(morpholin-4-ylcarbonyl)amino]ethylsulfanylmethyl]-4-oxidanylidene-4-pyridin-3-yl-butanoate

Systemtic Name: ethyl 3-[2-[cyclohexyl(morpholin-4-ylcarbonyl)amino]ethylsulfanylmethyl]-4-oxidanylidene-4-pyridin-3-yl-butanoate Openeye Name: ethyl 3-[2-[cyclohexyl(morpholine-4-carbonyl)amino]ethylsulfanylmethyl]-4-oxo-4-(3-pyridyl)butanoate CAS Name: 3-[[2-[cyclohexyl-[4-morpholinyl(oxo)methyl]amino]ethylthio]methyl]-4-oxo-4-(3-pyridinyl)butanoic acid ethyl ester IUPAC Name: ethyl 3-[2-[cyclohexyl(morpholine-4-carbonyl)amino]ethylsulfanylmethyl]-4-oxo-4-pyridin-3-ylbutanoate Traditional Name: 3-[[2-[cyclohexyl(morpholine-4-carbonyl)amino]ethylthio]methyl]-4-keto-4-(3-pyridyl)butyric acid ethyl ester Formula: C25H37N3O5S MolecularWeight: 491.64338

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(CSCCN(C1CCCCC1)C(=O)N2CCOCC2)C(=O)C3=CN=CC=C3

Isomeric SMILES

CCOC(=O)CC(CSCCN(C1CCCCC1)C(=O)N2CCOCC2)C(=O)C3=CN=CC=C3

InChI

InChI=1S/C25H37N3O5S/c1-2-33-23(29)17-21(24(30)20-7-6-10-26-18-20)19-34-16-13-28(22-8-4-3-5-9-22)25(31)27-11-14-32-15-12-27/h6-7,10,18,21-22H,2-5,8-9,11-17,19H2,1H3