2-(1-benzothiophen-2-yl)-8-propan-2-yl-quinoline-4-carboxylic acid

Systemtic Name: 2-(1-benzothiophen-2-yl)-8-propan-2-yl-quinoline-4-carboxylic acid Openeye Name: 2-(benzothiophen-2-yl)-8-isopropyl-quinoline-4-carboxylic acid CAS Name: 2-(1-benzothiophen-2-yl)-8-propan-2-yl-4-quinolinecarboxylic acid IUPAC Name: 2-(1-benzothiophen-2-yl)-8-propan-2-ylquinoline-4-carboxylic acid Traditional Name: 2-(benzothiophen-2-yl)-8-isopropyl-cinchoninic acid Formula: C21H17NO2S MolecularWeight: 347.43018

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC2=C1N=C(C=C2C(=O)O)C3=CC4=CC=CC=C4S3

Isomeric SMILES

CC(C)C1=CC=CC2=C1N=C(C=C2C(=O)O)C3=CC4=CC=CC=C4S3

InChI

InChI=1S/C21H17NO2S/c1-12(2)14-7-5-8-15-16(21(23)24)11-17(22-20(14)15)19-10-13-6-3-4-9-18(13)25-19/h3-12H,1-2H3,(H,23,24)