2-(1-benzothiophen-2-yl)-5,7-dimethyl-quinoline-4-carboxylic acid

Systemtic Name: 2-(1-benzothiophen-2-yl)-5,7-dimethyl-quinoline-4-carboxylic acid Openeye Name: 2-(benzothiophen-2-yl)-5,7-dimethyl-quinoline-4-carboxylic acid CAS Name: 2-(1-benzothiophen-2-yl)-5,7-dimethyl-4-quinolinecarboxylic acid IUPAC Name: 2-(1-benzothiophen-2-yl)-5,7-dimethylquinoline-4-carboxylic acid Traditional Name: 2-(benzothiophen-2-yl)-5,7-dimethyl-cinchoninic acid Formula: C20H15NO2S MolecularWeight: 333.4036

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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