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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21NO2S/c1-5-11(2)14-6-7-18-16(9-14)17(20(22)23)10-19(21-18)15-8-12(3)24-13(15)4/h6-11H,5H2,1-4H3,(H,22,23)