2-[2,5-bis(chloranyl)thiophen-3-yl]-8-propan-2-yl-quinoline-4-carboxylic acid

Systemtic Name: 2-[2,5-bis(chloranyl)thiophen-3-yl]-8-propan-2-yl-quinoline-4-carboxylic acid Openeye Name: 2-(2,5-dichloro-3-thienyl)-8-isopropyl-quinoline-4-carboxylic acid CAS Name: 2-(2,5-dichloro-3-thiophenyl)-8-propan-2-yl-4-quinolinecarboxylic acid IUPAC Name: 2-(2,5-dichlorothiophen-3-yl)-8-propan-2-ylquinoline-4-carboxylic acid Traditional Name: 2-(2,5-dichloro-3-thienyl)-8-isopropyl-cinchoninic acid Formula: C17H13Cl2NO2S MolecularWeight: 366.26162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC2=C1N=C(C=C2C(=O)O)C3=C(SC(=C3)Cl)Cl

Isomeric SMILES

CC(C)C1=CC=CC2=C1N=C(C=C2C(=O)O)C3=C(SC(=C3)Cl)Cl

InChI

InChI=1S/C17H13Cl2NO2S/c1-8(2)9-4-3-5-10-11(17(21)22)6-13(20-15(9)10)12-7-14(18)23-16(12)19/h3-8H,1-2H3,(H,21,22)