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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)N=C(C=C2C(=O)O)C3=CC=CS3

Isomeric SMILES

CCCCC1=CC2=C(C=C1)N=C(C=C2C(=O)O)C3=CC=CS3

InChI

InChI=1S/C18H17NO2S/c1-2-3-5-12-7-8-15-13(10-12)14(18(20)21)11-16(19-15)17-6-4-9-22-17/h4,6-11H,2-3,5H2,1H3,(H,20,21)