pentyl 6,8-dimethyl-2-thiophen-2-yl-quinoline-4-carboxylate

Systemtic Name: pentyl 6,8-dimethyl-2-thiophen-2-yl-quinoline-4-carboxylate Openeye Name: pentyl 6,8-dimethyl-2-(2-thienyl)quinoline-4-carboxylate CAS Name: 6,8-dimethyl-2-thiophen-2-yl-4-quinolinecarboxylic acid pentyl ester IUPAC Name: pentyl 6,8-dimethyl-2-thiophen-2-ylquinoline-4-carboxylate Traditional Name: 6,8-dimethyl-2-(2-thienyl)cinchoninic acid amyl ester Formula: C21H23NO2S MolecularWeight: 353.47782

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1=CC(=NC2=C(C=C(C=C12)C)C)C3=CC=CS3

Isomeric SMILES

CCCCCOC(=O)C1=CC(=NC2=C(C=C(C=C12)C)C)C3=CC=CS3

InChI

InChI=1S/C21H23NO2S/c1-4-5-6-9-24-21(23)17-13-18(19-8-7-10-25-19)22-20-15(3)11-14(2)12-16(17)20/h7-8,10-13H,4-6,9H2,1-3H3