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

Systemtic Name: ethyl 6-(1-adamantyl)-3-azanyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C21H23F3N2O2S MolecularWeight: 424.47973

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23F3N2O2S/c1-2-28-19(27)17-16(25)15-13(21(22,23)24)6-14(26-18(15)29-17)20-7-10-3-11(8-20)5-12(4-10)9-20/h6,10-12H,2-5,7-9,25H2,1H3