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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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