3-ethyl-4-[4-[2-(4-methylphenyl)ethyl]piperazin-1-yl]-1-benzothiophene-2-carboxylic acid

Systemtic Name: 3-ethyl-4-[4-[2-(4-methylphenyl)ethyl]piperazin-1-yl]-1-benzothiophene-2-carboxylic acid Openeye Name: 3-ethyl-4-[4-[2-(p-tolyl)ethyl]piperazin-1-yl]benzothiophene-2-carboxylic acid CAS Name: 3-ethyl-4-[4-[2-(4-methylphenyl)ethyl]-1-piperazinyl]-1-benzothiophene-2-carboxylic acid IUPAC Name: 3-ethyl-4-[4-[2-(4-methylphenyl)ethyl]piperazin-1-yl]-1-benzothiophene-2-carboxylic acid Traditional Name: 3-ethyl-4-[4-[2-(p-tolyl)ethyl]piperazino]benzothiophene-2-carboxylic acid Formula: C24H28N2O2S MolecularWeight: 408.55632

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC2=CC=CC(=C21)N3CCN(CC3)CCC4=CC=C(C=C4)C)C(=O)O

Isomeric SMILES

CCC1=C(SC2=CC=CC(=C21)N3CCN(CC3)CCC4=CC=C(C=C4)C)C(=O)O

InChI

InChI=1S/C24H28N2O2S/c1-3-19-22-20(5-4-6-21(22)29-23(19)24(27)28)26-15-13-25(14-16-26)12-11-18-9-7-17(2)8-10-18/h4-10H,3,11-16H2,1-2H3,(H,27,28)