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

Systemtic Name: 6-(1-adamantyl)-3-azanyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate Openeye Name: 6-(1-adamantyl)-3-amino-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate CAS Name: 6-(1-adamantyl)-3-amino-4-(trifluoromethyl)-2-thieno[2,3-b]pyridinecarboxylate IUPAC Name: 6-(1-adamantyl)-3-amino-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate Traditional Name: 6-(1-adamantyl)-3-amino-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate Formula: C19H18F3N2O2S- MolecularWeight: 395.41863

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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)/p-1