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

Systemtic Name: 6-tert-butyl-2-(5-methylthiophen-2-yl)quinoline-4-carboxylic acid Openeye Name: 6-tert-butyl-2-(5-methyl-2-thienyl)quinoline-4-carboxylic acid CAS Name: 6-tert-butyl-2-(5-methyl-2-thiophenyl)-4-quinolinecarboxylic acid IUPAC Name: 6-tert-butyl-2-(5-methylthiophen-2-yl)quinoline-4-carboxylic acid Traditional Name: 6-tert-butyl-2-(5-methyl-2-thienyl)cinchoninic acid Formula: C19H19NO2S MolecularWeight: 325.42466

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19NO2S/c1-11-5-8-17(23-11)16-10-14(18(21)22)13-9-12(19(2,3)4)6-7-15(13)20-16/h5-10H,1-4H3,(H,21,22)