2-(5-chloranylthiophen-2-yl)-5,7-dimethyl-quinoline-4-carboxylic acid

Systemtic Name: 2-(5-chloranylthiophen-2-yl)-5,7-dimethyl-quinoline-4-carboxylic acid Openeye Name: 2-(5-chloro-2-thienyl)-5,7-dimethyl-quinoline-4-carboxylic acid CAS Name: 2-(5-chloro-2-thiophenyl)-5,7-dimethyl-4-quinolinecarboxylic acid IUPAC Name: 2-(5-chlorothiophen-2-yl)-5,7-dimethylquinoline-4-carboxylic acid Traditional Name: 2-(5-chloro-2-thienyl)-5,7-dimethyl-cinchoninic acid Formula: C16H12ClNO2S MolecularWeight: 317.78998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=CC(=NC2=C1)C3=CC=C(S3)Cl)C(=O)O)C

Isomeric SMILES

CC1=CC(=C2C(=CC(=NC2=C1)C3=CC=C(S3)Cl)C(=O)O)C

InChI

InChI=1S/C16H12ClNO2S/c1-8-5-9(2)15-10(16(19)20)7-11(18-12(15)6-8)13-3-4-14(17)21-13/h3-7H,1-2H3,(H,19,20)