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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)N=C(C=C2C(=O)O)C3=CC=C(S3)C

Isomeric SMILES

CCCCC1=CC2=C(C=C1)N=C(C=C2C(=O)O)C3=CC=C(S3)C

InChI

InChI=1S/C19H19NO2S/c1-3-4-5-13-7-8-16-14(10-13)15(19(21)22)11-17(20-16)18-9-6-12(2)23-18/h6-11H,3-5H2,1-2H3,(H,21,22)