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

Systemtic Name: (E)-but-2-enedioic acid; 6-(dimethylamino)-N-(3-thiophen-2-ylcarbonylpyridin-2-yl)hexanamide Openeye Name: 6-(dimethylamino)-N-[3-(thiophene-2-carbonyl)-2-pyridyl]hexanamide; fumaric acid CAS Name: (E)-2-butenedioic acid; 6-(dimethylamino)-N-[3-[oxo(thiophen-2-yl)methyl]-2-pyridinyl]hexanamide IUPAC Name: (E)-but-2-enedioic acid; 6-(dimethylamino)-N-[3-(thiophene-2-carbonyl)pyridin-2-yl]hexanamide Traditional Name: 6-(dimethylamino)-N-[3-(2-thenoyl)-2-pyridyl]hexanamide; fumaric acid Formula: C22H27N3O6S MolecularWeight: 461.53128

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCCCC(=O)NC1=C(C=CC=N1)C(=O)C2=CC=CS2.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN(C)CCCCCC(=O)NC1=C(C=CC=N1)C(=O)C2=CC=CS2.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C18H23N3O2S.C4H4O4/c1-21(2)12-5-3-4-10-16(22)20-18-14(8-6-11-19-18)17(23)15-9-7-13-24-15;5-3(6)1-2-4(7)8/h6-9,11,13H,3-5,10,12H2,1-2H3,(H,19,20,22);1-2H,(H,5,6)(H,7,8)/b;2-1+