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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15Cl2NO2S/c1-3-9(2)10-4-5-14-11(6-10)12(18(22)23)7-15(21-14)13-8-16(19)24-17(13)20/h4-9H,3H2,1-2H3,(H,22,23)