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

Systemtic Name: 4-[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-3-ethyl-1-benzothiophene-2-carboxylic acid Openeye Name: 4-[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-3-ethyl-benzothiophene-2-carboxylic acid CAS Name: 4-[4-[2-(4-chlorophenyl)ethyl]-1-piperazinyl]-3-ethyl-1-benzothiophene-2-carboxylic acid IUPAC Name: 4-[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-3-ethyl-1-benzothiophene-2-carboxylic acid Traditional Name: 4-[4-[2-(4-chlorophenyl)ethyl]piperazino]-3-ethyl-benzothiophene-2-carboxylic acid Formula: C23H25ClN2O2S MolecularWeight: 428.9748

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25ClN2O2S/c1-2-18-21-19(4-3-5-20(21)29-22(18)23(27)28)26-14-12-25(13-15-26)11-10-16-6-8-17(24)9-7-16/h3-9H,2,10-15H2,1H3,(H,27,28)