6-tert-butyl-2-(5-ethylthiophen-2-yl)quinoline-4-carboxylic acid

Systemtic Name: 6-tert-butyl-2-(5-ethylthiophen-2-yl)quinoline-4-carboxylic acid Openeye Name: 6-tert-butyl-2-(5-ethyl-2-thienyl)quinoline-4-carboxylic acid CAS Name: 6-tert-butyl-2-(5-ethyl-2-thiophenyl)-4-quinolinecarboxylic acid IUPAC Name: 6-tert-butyl-2-(5-ethylthiophen-2-yl)quinoline-4-carboxylic acid Traditional Name: 6-tert-butyl-2-(5-ethyl-2-thienyl)cinchoninic acid Formula: C20H21NO2S MolecularWeight: 339.45124

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(S1)C2=NC3=C(C=C(C=C3)C(C)(C)C)C(=C2)C(=O)O

Isomeric SMILES

CCC1=CC=C(S1)C2=NC3=C(C=C(C=C3)C(C)(C)C)C(=C2)C(=O)O

InChI

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