diethyl 2-[[(5-chloranyl-6-morpholin-4-yl-pyridin-2-yl)amino]sulfanylmethylidene]propanedioate

Systemtic Name: diethyl 2-[[(5-chloranyl-6-morpholin-4-yl-pyridin-2-yl)amino]sulfanylmethylidene]propanedioate Openeye Name: diethyl 2-[[(5-chloro-6-morpholino-2-pyridyl)amino]sulfanylmethylene]propanedioate CAS Name: 2-[[[[5-chloro-6-(4-morpholinyl)-2-pyridinyl]amino]thio]methylidene]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[[(5-chloro-6-morpholin-4-ylpyridin-2-yl)amino]sulfanylmethylidene]propanedioate Traditional Name: 2-[[[(5-chloro-6-morpholino-2-pyridyl)amino]thio]methylene]malonic acid diethyl ester Formula: C17H22ClN3O5S MolecularWeight: 415.89168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CSNC1=NC(=C(C=C1)Cl)N2CCOCC2)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(=CSNC1=NC(=C(C=C1)Cl)N2CCOCC2)C(=O)OCC

InChI

InChI=1S/C17H22ClN3O5S/c1-3-25-16(22)12(17(23)26-4-2)11-27-20-14-6-5-13(18)15(19-14)21-7-9-24-10-8-21/h5-6,11H,3-4,7-10H2,1-2H3,(H,19,20)