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

Systemtic Name: methyl 3-azanyl-6-(4-bromophenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate Openeye Name: methyl 3-amino-6-(4-bromophenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate CAS Name: 3-amino-6-(4-bromophenyl)-4-(trifluoromethyl)-2-thieno[2,3-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 3-amino-6-(4-bromophenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate Traditional Name: 3-amino-6-(4-bromophenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylic acid methyl ester Formula: C16H10BrF3N2O2S MolecularWeight: 431.22701

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(S1)N=C(C=C2C(F)(F)F)C3=CC=C(C=C3)Br)N

Isomeric SMILES

COC(=O)C1=C(C2=C(S1)N=C(C=C2C(F)(F)F)C3=CC=C(C=C3)Br)N

InChI

InChI=1S/C16H10BrF3N2O2S/c1-24-15(23)13-12(21)11-9(16(18,19)20)6-10(22-14(11)25-13)7-2-4-8(17)5-3-7/h2-6H,21H2,1H3