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

Systemtic Name: methyl 3-azanyl-6-(4-nitrophenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate Openeye Name: methyl 3-amino-6-(4-nitrophenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate CAS Name: 3-amino-6-(4-nitrophenyl)-4-(trifluoromethyl)-2-thieno[2,3-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 3-amino-6-(4-nitrophenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate Traditional Name: 3-amino-6-(4-nitrophenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylic acid methyl ester Formula: C16H10F3N3O4S MolecularWeight: 397.32851

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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)[N+](=O)[O-])N

Isomeric SMILES

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

InChI

InChI=1S/C16H10F3N3O4S/c1-26-15(23)13-12(20)11-9(16(17,18)19)6-10(21-14(11)27-13)7-2-4-8(5-3-7)22(24)25/h2-6H,20H2,1H3