methyl 5-[[4-[(5-cyano-6-methylsulfanyl-pyridin-2-yl)methyl]morpholin-2-yl]methoxy]pyridine-3-carboxylate

Systemtic Name: methyl 5-[[4-[(5-cyano-6-methylsulfanyl-pyridin-2-yl)methyl]morpholin-2-yl]methoxy]pyridine-3-carboxylate Openeye Name: methyl 5-[[4-[(5-cyano-6-methylsulfanyl-2-pyridyl)methyl]morpholin-2-yl]methoxy]pyridine-3-carboxylate CAS Name: 5-[[4-[[5-cyano-6-(methylthio)-2-pyridinyl]methyl]-2-morpholinyl]methoxy]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-[(5-cyano-6-methylsulfanylpyridin-2-yl)methyl]morpholin-2-yl]methoxy]pyridine-3-carboxylate Traditional Name: 5-[[4-[[5-cyano-6-(methylthio)-2-pyridyl]methyl]morpholin-2-yl]methoxy]nicotinic acid methyl ester Formula: C20H22N4O4S MolecularWeight: 414.47808

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CN=C1)OCC2CN(CCO2)CC3=NC(=C(C=C3)C#N)SC

Isomeric SMILES

COC(=O)C1=CC(=CN=C1)OCC2CN(CCO2)CC3=NC(=C(C=C3)C#N)SC

InChI

InChI=1S/C20H22N4O4S/c1-26-20(25)15-7-17(10-22-9-15)28-13-18-12-24(5-6-27-18)11-16-4-3-14(8-21)19(23-16)29-2/h3-4,7,9-10,18H,5-6,11-13H2,1-2H3