3-azanyl-6-oxidanylidene-2-[[2-(trifluoromethyl)phenyl]carbamoyl]-7H-thieno[2,3-b]pyridine-5-carboxylate

Systemtic Name: 3-azanyl-6-oxidanylidene-2-[[2-(trifluoromethyl)phenyl]carbamoyl]-7H-thieno[2,3-b]pyridine-5-carboxylate Openeye Name: 3-amino-6-oxo-2-[[2-(trifluoromethyl)phenyl]carbamoyl]-7H-thieno[2,3-b]pyridine-5-carboxylate CAS Name: 3-amino-6-oxo-2-[oxo-[2-(trifluoromethyl)anilino]methyl]-7H-thieno[2,3-b]pyridine-5-carboxylate IUPAC Name: 3-amino-6-oxo-2-[[2-(trifluoromethyl)phenyl]carbamoyl]-7H-thieno[2,3-b]pyridine-5-carboxylate Traditional Name: 3-amino-6-keto-2-[[2-(trifluoromethyl)phenyl]carbamoyl]-7H-thieno[2,3-b]pyridine-5-carboxylate Formula: C16H9F3N3O4S- MolecularWeight: 396.32057

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(F)(F)F)NC(=O)C2=C(C3=C(S2)NC(=O)C(=C3)C(=O)[O-])N

Isomeric SMILES

C1=CC=C(C(=C1)C(F)(F)F)NC(=O)C2=C(C3=C(S2)NC(=O)C(=C3)C(=O)[O-])N

InChI

InChI=1S/C16H10F3N3O4S/c17-16(18,19)8-3-1-2-4-9(8)21-13(24)11-10(20)6-5-7(15(25)26)12(23)22-14(6)27-11/h1-5H,20H2,(H,21,24)(H,22,23)(H,25,26)/p-1