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

Systemtic Name: heptyl 7-chloranyl-8-methyl-2-thiophen-2-yl-quinoline-4-carboxylate Openeye Name: heptyl 7-chloro-8-methyl-2-(2-thienyl)quinoline-4-carboxylate CAS Name: 7-chloro-8-methyl-2-thiophen-2-yl-4-quinolinecarboxylic acid heptyl ester IUPAC Name: heptyl 7-chloro-8-methyl-2-thiophen-2-ylquinoline-4-carboxylate Traditional Name: 7-chloro-8-methyl-2-(2-thienyl)cinchoninic acid heptyl ester Formula: C22H24ClNO2S MolecularWeight: 401.94946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24ClNO2S/c1-3-4-5-6-7-12-26-22(25)17-14-19(20-9-8-13-27-20)24-21-15(2)18(23)11-10-16(17)21/h8-11,13-14H,3-7,12H2,1-2H3