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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O2S.C4H4O4/c1-21(2)11-5-7-14(18(23)15-8-6-12-24-15)13-17(22)20-16-9-3-4-10-19-16;5-3(6)1-2-4(7)8/h3-4,6,8-10,12,14H,5,7,11,13H2,1-2H3,(H,19,20,22);1-2H,(H,5,6)(H,7,8)/b;2-1+