6-butyl-2-(2,5-dimethylthiophen-3-yl)quinoline-4-carboxylic acid

Systemtic Name: 6-butyl-2-(2,5-dimethylthiophen-3-yl)quinoline-4-carboxylic acid Openeye Name: 6-butyl-2-(2,5-dimethyl-3-thienyl)quinoline-4-carboxylic acid CAS Name: 6-butyl-2-(2,5-dimethyl-3-thiophenyl)-4-quinolinecarboxylic acid IUPAC Name: 6-butyl-2-(2,5-dimethylthiophen-3-yl)quinoline-4-carboxylic acid Traditional Name: 6-butyl-2-(2,5-dimethyl-3-thienyl)cinchoninic acid Formula: C20H21NO2S MolecularWeight: 339.45124

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)N=C(C=C2C(=O)O)C3=C(SC(=C3)C)C

Isomeric SMILES

CCCCC1=CC2=C(C=C1)N=C(C=C2C(=O)O)C3=C(SC(=C3)C)C

InChI

InChI=1S/C20H21NO2S/c1-4-5-6-14-7-8-18-16(10-14)17(20(22)23)11-19(21-18)15-9-12(2)24-13(15)3/h7-11H,4-6H2,1-3H3,(H,22,23)