methyl 5-[[1-ethyl-4-oxidanylidene-6-(trifluoromethyl)quinolin-3-yl]carbonylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 5-[[1-ethyl-4-oxidanylidene-6-(trifluoromethyl)quinolin-3-yl]carbonylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 5-[[1-ethyl-4-oxo-6-(trifluoromethyl)quinoline-3-carbonyl]amino]benzothiophene-2-carboxylate CAS Name: 5-[[[1-ethyl-4-oxo-6-(trifluoromethyl)-3-quinolinyl]-oxomethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 5-[[1-ethyl-4-oxo-6-(trifluoromethyl)quinoline-3-carbonyl]amino]-1-benzothiophene-2-carboxylate Traditional Name: 5-[[1-ethyl-4-keto-6-(trifluoromethyl)quinoline-3-carbonyl]amino]benzothiophene-2-carboxylic acid methyl ester Formula: C23H17F3N2O4S MolecularWeight: 474.45229

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=C1C=CC(=C2)C(F)(F)F)C(=O)NC3=CC4=C(C=C3)SC(=C4)C(=O)OC

Isomeric SMILES

CCN1C=C(C(=O)C2=C1C=CC(=C2)C(F)(F)F)C(=O)NC3=CC4=C(C=C3)SC(=C4)C(=O)OC

InChI

InChI=1S/C23H17F3N2O4S/c1-3-28-11-16(20(29)15-10-13(23(24,25)26)4-6-17(15)28)21(30)27-14-5-7-18-12(8-14)9-19(33-18)22(31)32-2/h4-11H,3H2,1-2H3,(H,27,30)