(E)-but-2-enedioic acid; 2-methoxy-N-methyl-3-morpholin-4-yl-2-pyridin-2-ylsulfanyl-propanamide

Systemtic Name: (E)-but-2-enedioic acid; 2-methoxy-N-methyl-3-morpholin-4-yl-2-pyridin-2-ylsulfanyl-propanamide Openeye Name: fumaric acid; 2-methoxy-N-methyl-3-morpholino-2-(2-pyridylsulfanyl)propanamide CAS Name: (E)-2-butenedioic acid; 2-methoxy-N-methyl-3-(4-morpholinyl)-2-(2-pyridinylthio)propanamide IUPAC Name: (E)-but-2-enedioic acid; 2-methoxy-N-methyl-3-morpholin-4-yl-2-pyridin-2-ylsulfanylpropanamide Traditional Name: fumaric acid; 2-methoxy-N-methyl-3-morpholino-2-(2-pyridylthio)propionamide Formula: C18H25N3O7S MolecularWeight: 427.472

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C(CN1CCOCC1)(OC)SC2=CC=CC=N2.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CNC(=O)C(CN1CCOCC1)(OC)SC2=CC=CC=N2.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C14H21N3O3S.C4H4O4/c1-15-13(18)14(19-2,11-17-7-9-20-10-8-17)21-12-5-3-4-6-16-12;5-3(6)1-2-4(7)8/h3-6H,7-11H2,1-2H3,(H,15,18);1-2H,(H,5,6)(H,7,8)/b;2-1+