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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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