ethyl 6,7,8-tris(fluoranyl)-4-(4-propan-2-ylphenyl)sulfanyl-quinoline-3-carboxylate

Systemtic Name: ethyl 6,7,8-tris(fluoranyl)-4-(4-propan-2-ylphenyl)sulfanyl-quinoline-3-carboxylate Openeye Name: ethyl 6,7,8-trifluoro-4-(4-isopropylphenyl)sulfanyl-quinoline-3-carboxylate CAS Name: 6,7,8-trifluoro-4-[(4-propan-2-ylphenyl)thio]-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 6,7,8-trifluoro-4-(4-propan-2-ylphenyl)sulfanylquinoline-3-carboxylate Traditional Name: 6,7,8-trifluoro-4-(p-cumenylthio)quinoline-3-carboxylic acid ethyl ester Formula: C21H18F3NO2S MolecularWeight: 405.43333

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC(=C(C(=C2N=C1)F)F)F)SC3=CC=C(C=C3)C(C)C

Isomeric SMILES

CCOC(=O)C1=C(C2=CC(=C(C(=C2N=C1)F)F)F)SC3=CC=C(C=C3)C(C)C

InChI

InChI=1S/C21H18F3NO2S/c1-4-27-21(26)15-10-25-19-14(9-16(22)17(23)18(19)24)20(15)28-13-7-5-12(6-8-13)11(2)3/h5-11H,4H2,1-3H3