hexyl 7-chloranyl-8-methyl-2-thiophen-2-yl-quinoline-4-carboxylate

Systemtic Name: hexyl 7-chloranyl-8-methyl-2-thiophen-2-yl-quinoline-4-carboxylate Openeye Name: hexyl 7-chloro-8-methyl-2-(2-thienyl)quinoline-4-carboxylate CAS Name: 7-chloro-8-methyl-2-thiophen-2-yl-4-quinolinecarboxylic acid hexyl ester IUPAC Name: hexyl 7-chloro-8-methyl-2-thiophen-2-ylquinoline-4-carboxylate Traditional Name: 7-chloro-8-methyl-2-(2-thienyl)cinchoninic acid hexyl ester Formula: C21H22ClNO2S MolecularWeight: 387.92288

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C1=CC(=NC2=C1C=CC(=C2C)Cl)C3=CC=CS3

Isomeric SMILES

CCCCCCOC(=O)C1=CC(=NC2=C1C=CC(=C2C)Cl)C3=CC=CS3

InChI

InChI=1S/C21H22ClNO2S/c1-3-4-5-6-11-25-21(24)16-13-18(19-8-7-12-26-19)23-20-14(2)17(22)10-9-15(16)20/h7-10,12-13H,3-6,11H2,1-2H3