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

Systemtic Name: methyl 6-(1-adamantyl)-3-azanyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate Openeye Name: methyl 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]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 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-carboxylic acid methyl ester Formula: C20H21F3N2O2S MolecularWeight: 410.45315

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(S1)N=C(C=C2C(F)(F)F)C34CC5CC(C3)CC(C5)C4)N

Isomeric SMILES

COC(=O)C1=C(C2=C(S1)N=C(C=C2C(F)(F)F)C34CC5CC(C3)CC(C5)C4)N

InChI

InChI=1S/C20H21F3N2O2S/c1-27-18(26)16-15(24)14-12(20(21,22)23)5-13(25-17(14)28-16)19-6-9-2-10(7-19)4-11(3-9)8-19/h5,9-11H,2-4,6-8,24H2,1H3