6-chloranyl-2-[5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]quinoline-4-carboxylate

Systemtic Name: 6-chloranyl-2-[5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]quinoline-4-carboxylate Openeye Name: 6-chloro-2-[5-[3-(trifluoromethyl)phenyl]-2-thienyl]quinoline-4-carboxylate CAS Name: 6-chloro-2-[5-[3-(trifluoromethyl)phenyl]-2-thiophenyl]-4-quinolinecarboxylate IUPAC Name: 6-chloro-2-[5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]quinoline-4-carboxylate Traditional Name: 6-chloro-2-[5-[3-(trifluoromethyl)phenyl]-2-thienyl]cinchoninate Formula: C21H10ClF3NO2S- MolecularWeight: 432.82281

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H11ClF3NO2S/c22-13-4-5-16-14(9-13)15(20(27)28)10-17(26-16)19-7-6-18(29-19)11-2-1-3-12(8-11)21(23,24)25/h1-10H,(H,27,28)/p-1