2-(1-benzothiophen-2-yl)-6-butyl-quinoline-4-carboxylic acid

Systemtic Name: 2-(1-benzothiophen-2-yl)-6-butyl-quinoline-4-carboxylic acid Openeye Name: 2-(benzothiophen-2-yl)-6-butyl-quinoline-4-carboxylic acid CAS Name: 2-(1-benzothiophen-2-yl)-6-butyl-4-quinolinecarboxylic acid IUPAC Name: 2-(1-benzothiophen-2-yl)-6-butylquinoline-4-carboxylic acid Traditional Name: 2-(benzothiophen-2-yl)-6-butyl-cinchoninic acid Formula: C22H19NO2S MolecularWeight: 361.45676

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)N=C(C=C2C(=O)O)C3=CC4=CC=CC=C4S3

Isomeric SMILES

CCCCC1=CC2=C(C=C1)N=C(C=C2C(=O)O)C3=CC4=CC=CC=C4S3

InChI

InChI=1S/C22H19NO2S/c1-2-3-6-14-9-10-18-16(11-14)17(22(24)25)13-19(23-18)21-12-15-7-4-5-8-20(15)26-21/h4-5,7-13H,2-3,6H2,1H3,(H,24,25)