ethyl 3-azanyl-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridin-7-ium-2-carboxylate

Systemtic Name: ethyl 3-azanyl-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridin-7-ium-2-carboxylate Openeye Name: ethyl 3-amino-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridin-7-ium-2-carboxylate CAS Name: 3-amino-4-methyl-6-(trifluoromethyl)-2-thieno[2,3-b]pyridin-7-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 3-amino-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridin-7-ium-2-carboxylate Traditional Name: 3-amino-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridin-7-ium-2-carboxylic acid ethyl ester Formula: C12H12F3N2O2S+ MolecularWeight: 305.29609

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)[NH+]=C(C=C2C)C(F)(F)F)N

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)[NH+]=C(C=C2C)C(F)(F)F)N

InChI

InChI=1S/C12H11F3N2O2S/c1-3-19-11(18)9-8(16)7-5(2)4-6(12(13,14)15)17-10(7)20-9/h4H,3,16H2,1-2H3/p+1