(E)-but-2-enedioic acid; 6-morpholin-4-yl-N-(3-thiophen-2-ylcarbonylpyridin-2-yl)hexanamide

Systemtic Name: (E)-but-2-enedioic acid; 6-morpholin-4-yl-N-(3-thiophen-2-ylcarbonylpyridin-2-yl)hexanamide Openeye Name: fumaric acid; 6-morpholino-N-[3-(thiophene-2-carbonyl)-2-pyridyl]hexanamide CAS Name: (E)-2-butenedioic acid; 6-(4-morpholinyl)-N-[3-[oxo(thiophen-2-yl)methyl]-2-pyridinyl]hexanamide IUPAC Name: (E)-but-2-enedioic acid; 6-morpholin-4-yl-N-[3-(thiophene-2-carbonyl)pyridin-2-yl]hexanamide Traditional Name: fumaric acid; 6-morpholino-N-[3-(2-thenoyl)-2-pyridyl]hexanamide Formula: C24H29N3O7S MolecularWeight: 503.56796

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCCCCC(=O)NC2=C(C=CC=N2)C(=O)C3=CC=CS3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1COCCN1CCCCCC(=O)NC2=C(C=CC=N2)C(=O)C3=CC=CS3.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C20H25N3O3S.C4H4O4/c24-18(8-2-1-3-10-23-11-13-26-14-12-23)22-20-16(6-4-9-21-20)19(25)17-7-5-15-27-17;5-3(6)1-2-4(7)8/h4-7,9,15H,1-3,8,10-14H2,(H,21,22,24);1-2H,(H,5,6)(H,7,8)/b;2-1+