2-(1-benzothiophen-2-yl)-5,8-dimethyl-quinoline-4-carboxylic acid

Systemtic Name: 2-(1-benzothiophen-2-yl)-5,8-dimethyl-quinoline-4-carboxylic acid Openeye Name: 2-(benzothiophen-2-yl)-5,8-dimethyl-quinoline-4-carboxylic acid CAS Name: 2-(1-benzothiophen-2-yl)-5,8-dimethyl-4-quinolinecarboxylic acid IUPAC Name: 2-(1-benzothiophen-2-yl)-5,8-dimethylquinoline-4-carboxylic acid Traditional Name: 2-(benzothiophen-2-yl)-5,8-dimethyl-cinchoninic acid Formula: C20H15NO2S MolecularWeight: 333.4036

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=NC2=C(C=C1)C)C3=CC4=CC=CC=C4S3)C(=O)O

Isomeric SMILES

CC1=C2C(=CC(=NC2=C(C=C1)C)C3=CC4=CC=CC=C4S3)C(=O)O

InChI

InChI=1S/C20H15NO2S/c1-11-7-8-12(2)19-18(11)14(20(22)23)10-15(21-19)17-9-13-5-3-4-6-16(13)24-17/h3-10H,1-2H3,(H,22,23)