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

Systemtic Name: methyl 3-azanyl-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-7-ium-2-carboxylate Openeye Name: methyl 3-amino-6-(2-thienyl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-7-ium-2-carboxylate CAS Name: 3-amino-6-thiophen-2-yl-4-(trifluoromethyl)-2-thieno[2,3-b]pyridin-7-iumcarboxylic acid methyl ester IUPAC Name: methyl 3-amino-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-7-ium-2-carboxylate Traditional Name: 3-amino-6-(2-thienyl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-7-ium-2-carboxylic acid methyl ester Formula: C14H10F3N2O2S2+ MolecularWeight: 359.36661

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(S1)[NH+]=C(C=C2C(F)(F)F)C3=CC=CS3)N

Isomeric SMILES

COC(=O)C1=C(C2=C(S1)[NH+]=C(C=C2C(F)(F)F)C3=CC=CS3)N

InChI

InChI=1S/C14H9F3N2O2S2/c1-21-13(20)11-10(18)9-6(14(15,16)17)5-7(19-12(9)23-11)8-3-2-4-22-8/h2-5H,18H2,1H3/p+1