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

Systemtic Name: 7-chloranyl-2-(2,5-dimethylthiophen-3-yl)-8-methyl-quinoline-4-carboxylic acid Openeye Name: 7-chloro-2-(2,5-dimethyl-3-thienyl)-8-methyl-quinoline-4-carboxylic acid CAS Name: 7-chloro-2-(2,5-dimethyl-3-thiophenyl)-8-methyl-4-quinolinecarboxylic acid IUPAC Name: 7-chloro-2-(2,5-dimethylthiophen-3-yl)-8-methylquinoline-4-carboxylic acid Traditional Name: 7-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=CC(=C(S1)C)C2=NC3=C(C=CC(=C3C)Cl)C(=C2)C(=O)O

Isomeric SMILES

CC1=CC(=C(S1)C)C2=NC3=C(C=CC(=C3C)Cl)C(=C2)C(=O)O

InChI

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