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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)C)C2=NC3=C(C=C(C=C3)C(C)(C)C)C(=C2)C(=O)O

Isomeric SMILES

CC1=CC(=C(S1)C)C2=NC3=C(C=C(C=C3)C(C)(C)C)C(=C2)C(=O)O

InChI

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