N-[(1R,3R,4S)-7-azabicyclo[2.2.1]heptan-3-yl]-2-ethynyl-1-benzothiophene-6-carboxamide

Systemtic Name: N-[(1R,3R,4S)-7-azabicyclo[2.2.1]heptan-3-yl]-2-ethynyl-1-benzothiophene-6-carboxamide Openeye Name: N-[(1R,3R,4S)-7-azabicyclo[2.2.1]heptan-3-yl]-2-ethynyl-benzothiophene-6-carboxamide CAS Name: N-[(1R,3R,4S)-7-azabicyclo[2.2.1]heptan-3-yl]-2-ethynyl-1-benzothiophene-6-carboxamide IUPAC Name: N-[(1R,3R,4S)-7-azabicyclo[2.2.1]heptan-3-yl]-2-ethynyl-1-benzothiophene-6-carboxamide Traditional Name: N-[(1R,3R,4S)-7-azabicyclo[2.2.1]heptan-3-yl]-2-ethynyl-benzothiophene-6-carboxamide Formula: C17H16N2OS MolecularWeight: 296.38674

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC2=C(S1)C=C(C=C2)C(=O)NC3CC4CCC3N4

Isomeric SMILES

C#CC1=CC2=C(S1)C=C(C=C2)C(=O)N[C@@H]3C[C@H]4CC[C@@H]3N4

InChI

InChI=1S/C17H16N2OS/c1-2-13-7-10-3-4-11(8-16(10)21-13)17(20)19-15-9-12-5-6-14(15)18-12/h1,3-4,7-8,12,14-15,18H,5-6,9H2,(H,19,20)/t12-,14+,15-/m1/s1