2-[2,5-bis(chloranyl)thiophen-3-yl]-6-butyl-quinoline-4-carboxylic acid

Systemtic Name: 2-[2,5-bis(chloranyl)thiophen-3-yl]-6-butyl-quinoline-4-carboxylic acid Openeye Name: 6-butyl-2-(2,5-dichloro-3-thienyl)quinoline-4-carboxylic acid CAS Name: 6-butyl-2-(2,5-dichloro-3-thiophenyl)-4-quinolinecarboxylic acid IUPAC Name: 6-butyl-2-(2,5-dichlorothiophen-3-yl)quinoline-4-carboxylic acid Traditional Name: 6-butyl-2-(2,5-dichloro-3-thienyl)cinchoninic acid Formula: C18H15Cl2NO2S MolecularWeight: 380.2882

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)N=C(C=C2C(=O)O)C3=C(SC(=C3)Cl)Cl

Isomeric SMILES

CCCCC1=CC2=C(C=C1)N=C(C=C2C(=O)O)C3=C(SC(=C3)Cl)Cl

InChI

InChI=1S/C18H15Cl2NO2S/c1-2-3-4-10-5-6-14-11(7-10)12(18(22)23)8-15(21-14)13-9-16(19)24-17(13)20/h5-9H,2-4H2,1H3,(H,22,23)