6-butan-2-yl-2-(5-ethylthiophen-2-yl)quinoline-4-carboxylic acid

Systemtic Name: 6-butan-2-yl-2-(5-ethylthiophen-2-yl)quinoline-4-carboxylic acid Openeye Name: 2-(5-ethyl-2-thienyl)-6-sec-butyl-quinoline-4-carboxylic acid CAS Name: 6-butan-2-yl-2-(5-ethyl-2-thiophenyl)-4-quinolinecarboxylic acid IUPAC Name: 6-butan-2-yl-2-(5-ethylthiophen-2-yl)quinoline-4-carboxylic acid Traditional Name: 2-(5-ethyl-2-thienyl)-6-sec-butyl-cinchoninic acid Formula: C20H21NO2S MolecularWeight: 339.45124

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(S1)C2=NC3=C(C=C(C=C3)C(C)CC)C(=C2)C(=O)O

Isomeric SMILES

CCC1=CC=C(S1)C2=NC3=C(C=C(C=C3)C(C)CC)C(=C2)C(=O)O

InChI

InChI=1S/C20H21NO2S/c1-4-12(3)13-6-8-17-15(10-13)16(20(22)23)11-18(21-17)19-9-7-14(5-2)24-19/h6-12H,4-5H2,1-3H3,(H,22,23)