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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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