6-tert-butyl-2-thiophen-2-yl-quinoline-4-carboxylic acid

Systemtic Name: 6-tert-butyl-2-thiophen-2-yl-quinoline-4-carboxylic acid Openeye Name: 6-tert-butyl-2-(2-thienyl)quinoline-4-carboxylic acid CAS Name: 6-tert-butyl-2-thiophen-2-yl-4-quinolinecarboxylic acid IUPAC Name: 6-tert-butyl-2-thiophen-2-ylquinoline-4-carboxylic acid Traditional Name: 6-tert-butyl-2-(2-thienyl)cinchoninic acid Formula: C18H17NO2S MolecularWeight: 311.39808

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=C(C=C1)N=C(C=C2C(=O)O)C3=CC=CS3

Isomeric SMILES

CC(C)(C)C1=CC2=C(C=C1)N=C(C=C2C(=O)O)C3=CC=CS3

InChI

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