5-chloranyl-2-(2,5-dimethylthiophen-3-yl)-8-methyl-quinoline-4-carboxylic acid

Systemtic Name: 5-chloranyl-2-(2,5-dimethylthiophen-3-yl)-8-methyl-quinoline-4-carboxylic acid Openeye Name: 5-chloro-2-(2,5-dimethyl-3-thienyl)-8-methyl-quinoline-4-carboxylic acid CAS Name: 5-chloro-2-(2,5-dimethyl-3-thiophenyl)-8-methyl-4-quinolinecarboxylic acid IUPAC Name: 5-chloro-2-(2,5-dimethylthiophen-3-yl)-8-methylquinoline-4-carboxylic acid Traditional Name: 5-chloro-2-(2,5-dimethyl-3-thienyl)-8-methyl-cinchoninic acid Formula: C17H14ClNO2S MolecularWeight: 331.81656

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)Cl)C(=CC(=N2)C3=C(SC(=C3)C)C)C(=O)O

Isomeric SMILES

CC1=C2C(=C(C=C1)Cl)C(=CC(=N2)C3=C(SC(=C3)C)C)C(=O)O

InChI

InChI=1S/C17H14ClNO2S/c1-8-4-5-13(18)15-12(17(20)21)7-14(19-16(8)15)11-6-9(2)22-10(11)3/h4-7H,1-3H3,(H,20,21)