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

Systemtic Name: ethyl 3-azanyl-6-[bis(fluoranyl)methyl]-4-methyl-thieno[2,3-b]pyridin-7-ium-2-carboxylate Openeye Name: ethyl 3-amino-6-(difluoromethyl)-4-methyl-thieno[2,3-b]pyridin-7-ium-2-carboxylate CAS Name: 3-amino-6-(difluoromethyl)-4-methyl-2-thieno[2,3-b]pyridin-7-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 3-amino-6-(difluoromethyl)-4-methylthieno[2,3-b]pyridin-7-ium-2-carboxylate Traditional Name: 3-amino-6-(difluoromethyl)-4-methyl-thieno[2,3-b]pyridin-7-ium-2-carboxylic acid ethyl ester Formula: C12H13F2N2O2S+ MolecularWeight: 287.305626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12F2N2O2S/c1-3-18-12(17)9-8(15)7-5(2)4-6(10(13)14)16-11(7)19-9/h4,10H,3,15H2,1-2H3/p+1