N-(1-azabicyclo[2.2.1]heptan-3-yl)-1-benzothiophene-6-carboxamide; (E)-but-2-enedioic acid

Systemtic Name: N-(1-azabicyclo[2.2.1]heptan-3-yl)-1-benzothiophene-6-carboxamide; (E)-but-2-enedioic acid Openeye Name: N-(1-azabicyclo[2.2.1]heptan-3-yl)benzothiophene-6-carboxamide; fumaric acid CAS Name: N-(1-azabicyclo[2.2.1]heptan-3-yl)-1-benzothiophene-6-carboxamide; (E)-2-butenedioic acid IUPAC Name: N-(1-azabicyclo[2.2.1]heptan-3-yl)-1-benzothiophene-6-carboxamide; (E)-but-2-enedioic acid Traditional Name: N-(1-azabicyclo[2.2.1]heptan-3-yl)benzothiophene-6-carboxamide; fumaric acid Formula: C19H20N2O5S MolecularWeight: 388.4375

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN2CC1C(C2)NC(=O)C3=CC4=C(C=C3)C=CS4.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CN2CC1C(C2)NC(=O)C3=CC4=C(C=C3)C=CS4.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C15H16N2OS.C4H4O4/c18-15(16-13-9-17-5-3-12(13)8-17)11-2-1-10-4-6-19-14(10)7-11;5-3(6)1-2-4(7)8/h1-2,4,6-7,12-13H,3,5,8-9H2,(H,16,18);1-2H,(H,5,6)(H,7,8)/b;2-1+