(E)-but-2-enedioic acid; 6-oxidanyl-4-oxidanylidene-N-(3-piperidin-1-ylpropyl)-7-propan-2-yl-thieno[2,3-b]pyridine-5-carboxamide

Systemtic Name: (E)-but-2-enedioic acid; 6-oxidanyl-4-oxidanylidene-N-(3-piperidin-1-ylpropyl)-7-propan-2-yl-thieno[2,3-b]pyridine-5-carboxamide Openeye Name: fumaric acid; 6-hydroxy-7-isopropyl-4-oxo-N-[3-(1-piperidyl)propyl]thieno[2,3-b]pyridine-5-carboxamide CAS Name: (E)-2-butenedioic acid; 6-hydroxy-4-oxo-N-[3-(1-piperidinyl)propyl]-7-propan-2-yl-5-thieno[2,3-b]pyridinecarboxamide IUPAC Name: (E)-but-2-enedioic acid; 6-hydroxy-4-oxo-N-(3-piperidin-1-ylpropyl)-7-propan-2-ylthieno[2,3-b]pyridine-5-carboxamide Traditional Name: fumaric acid; 6-hydroxy-7-isopropyl-4-keto-N-(3-piperidinopropyl)thieno[2,3-b]pyridine-5-carboxamide Formula: C23H31N3O7S MolecularWeight: 493.57314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=C(C(=O)C2=C1SC=C2)C(=O)NCCCN3CCCCC3)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC(C)N1C(=C(C(=O)C2=C1SC=C2)C(=O)NCCCN3CCCCC3)O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C19H27N3O3S.C4H4O4/c1-13(2)22-18(25)15(16(23)14-7-12-26-19(14)22)17(24)20-8-6-11-21-9-4-3-5-10-21;5-3(6)1-2-4(7)8/h7,12-13,25H,3-6,8-11H2,1-2H3,(H,20,24);1-2H,(H,5,6)(H,7,8)/b;2-1+