ethyl 7-chloranyl-6-fluoranyl-4-(4-propan-2-ylphenyl)sulfanyl-quinoline-3-carboxylate

Systemtic Name: ethyl 7-chloranyl-6-fluoranyl-4-(4-propan-2-ylphenyl)sulfanyl-quinoline-3-carboxylate Openeye Name: ethyl 7-chloro-6-fluoro-4-(4-isopropylphenyl)sulfanyl-quinoline-3-carboxylate CAS Name: 7-chloro-6-fluoro-4-[(4-propan-2-ylphenyl)thio]-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 7-chloro-6-fluoro-4-(4-propan-2-ylphenyl)sulfanylquinoline-3-carboxylate Traditional Name: 7-chloro-6-fluoro-4-(p-cumenylthio)quinoline-3-carboxylic acid ethyl ester Formula: C21H19ClFNO2S MolecularWeight: 403.897463

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19ClFNO2S/c1-4-26-21(25)16-11-24-19-10-17(22)18(23)9-15(19)20(16)27-14-7-5-13(6-8-14)12(2)3/h5-12H,4H2,1-3H3