6-(1-adamantyl)-3-azanyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylic acid

Systemtic Name: 6-(1-adamantyl)-3-azanyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylic acid Openeye Name: 6-(1-adamantyl)-3-amino-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylic acid CAS Name: 6-(1-adamantyl)-3-amino-4-(trifluoromethyl)-2-thieno[2,3-b]pyridinecarboxylic acid IUPAC Name: 6-(1-adamantyl)-3-amino-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylic acid Traditional Name: 6-(1-adamantyl)-3-amino-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylic acid Formula: C19H19F3N2O2S MolecularWeight: 396.42657

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=NC5=C(C(=C4)C(F)(F)F)C(=C(S5)C(=O)O)N

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=NC5=C(C(=C4)C(F)(F)F)C(=C(S5)C(=O)O)N

InChI

InChI=1S/C19H19F3N2O2S/c20-19(21,22)11-4-12(24-16-13(11)14(23)15(27-16)17(25)26)18-5-8-1-9(6-18)3-10(2-8)7-18/h4,8-10H,1-3,5-7,23H2,(H,25,26)