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

Systemtic Name: octyl 7-chloranyl-8-methyl-2-thiophen-2-yl-quinoline-4-carboxylate Openeye Name: octyl 7-chloro-8-methyl-2-(2-thienyl)quinoline-4-carboxylate CAS Name: 7-chloro-8-methyl-2-thiophen-2-yl-4-quinolinecarboxylic acid octyl ester IUPAC Name: octyl 7-chloro-8-methyl-2-thiophen-2-ylquinoline-4-carboxylate Traditional Name: 7-chloro-8-methyl-2-(2-thienyl)cinchoninic acid octyl ester Formula: C23H26ClNO2S MolecularWeight: 415.97604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26ClNO2S/c1-3-4-5-6-7-8-13-27-23(26)18-15-20(21-10-9-14-28-21)25-22-16(2)19(24)12-11-17(18)22/h9-12,14-15H,3-8,13H2,1-2H3