2-(5-tert-butylthiophen-2-yl)quinoline-4-carboxylic acid

Systemtic Name: 2-(5-tert-butylthiophen-2-yl)quinoline-4-carboxylic acid Openeye Name: 2-(5-tert-butyl-2-thienyl)quinoline-4-carboxylic acid CAS Name: 2-(5-tert-butyl-2-thiophenyl)-4-quinolinecarboxylic acid IUPAC Name: 2-(5-tert-butylthiophen-2-yl)quinoline-4-carboxylic acid Traditional Name: 2-(5-tert-butyl-2-thienyl)cinchoninic acid Formula: C18H17NO2S MolecularWeight: 311.39808

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(S1)C2=NC3=CC=CC=C3C(=C2)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(S1)C2=NC3=CC=CC=C3C(=C2)C(=O)O

InChI

InChI=1S/C18H17NO2S/c1-18(2,3)16-9-8-15(22-16)14-10-12(17(20)21)11-6-4-5-7-13(11)19-14/h4-10H,1-3H3,(H,20,21)