6-chloranyl-2-[5-[2-chloranyl-5-(trifluoromethyl)phenyl]thiophen-2-yl]quinoline-4-carboxylate

Systemtic Name: 6-chloranyl-2-[5-[2-chloranyl-5-(trifluoromethyl)phenyl]thiophen-2-yl]quinoline-4-carboxylate Openeye Name: 6-chloro-2-[5-[2-chloro-5-(trifluoromethyl)phenyl]-2-thienyl]quinoline-4-carboxylate CAS Name: 6-chloro-2-[5-[2-chloro-5-(trifluoromethyl)phenyl]-2-thiophenyl]-4-quinolinecarboxylate IUPAC Name: 6-chloro-2-[5-[2-chloro-5-(trifluoromethyl)phenyl]thiophen-2-yl]quinoline-4-carboxylate Traditional Name: 6-chloro-2-[5-[2-chloro-5-(trifluoromethyl)phenyl]-2-thienyl]cinchoninate Formula: C21H9Cl2F3NO2S- MolecularWeight: 467.26787

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(F)(F)F)C2=CC=C(S2)C3=NC4=C(C=C(C=C4)Cl)C(=C3)C(=O)[O-])Cl

Isomeric SMILES

C1=CC(=C(C=C1C(F)(F)F)C2=CC=C(S2)C3=NC4=C(C=C(C=C4)Cl)C(=C3)C(=O)[O-])Cl

InChI

InChI=1S/C21H10Cl2F3NO2S/c22-11-2-4-16-12(8-11)13(20(28)29)9-17(27-16)19-6-5-18(30-19)14-7-10(21(24,25)26)1-3-15(14)23/h1-9H,(H,28,29)/p-1