[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]ethyl] 4-fluoranyl-1-benzothiophene-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]ethyl] 4-fluoranyl-1-benzothiophene-2-carboxylate Openeye Name: [2-(4-benzylpiperazin-1-yl)-2-oxo-ethyl] 4-fluorobenzothiophene-2-carboxylate CAS Name: 4-fluoro-1-benzothiophene-2-carboxylic acid [2-oxo-2-[4-(phenylmethyl)-1-piperazinyl]ethyl] ester IUPAC Name: [2-(4-benzylpiperazin-1-yl)-2-oxoethyl] 4-fluoro-1-benzothiophene-2-carboxylate Traditional Name: 4-fluorobenzothiophene-2-carboxylic acid [2-(4-benzylpiperazino)-2-keto-ethyl] ester Formula: C22H21FN2O3S MolecularWeight: 412.477143

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=O)COC(=O)C3=CC4=C(C=CC=C4S3)F

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=O)COC(=O)C3=CC4=C(C=CC=C4S3)F

InChI

InChI=1S/C22H21FN2O3S/c23-18-7-4-8-19-17(18)13-20(29-19)22(27)28-15-21(26)25-11-9-24(10-12-25)14-16-5-2-1-3-6-16/h1-8,13H,9-12,14-15H2