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

Systemtic Name: [2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 4-fluoranyl-1-benzothiophene-2-carboxylate Openeye Name: [2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxo-ethyl] 4-fluorobenzothiophene-2-carboxylate CAS Name: 4-fluoro-1-benzothiophene-2-carboxylic acid [2-[4-(2-fluorophenyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 4-fluoro-1-benzothiophene-2-carboxylate Traditional Name: 4-fluorobenzothiophene-2-carboxylic acid [2-[4-(2-fluorophenyl)piperazino]-2-keto-ethyl] ester Formula: C21H18F2N2O3S MolecularWeight: 416.441026

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2F)C(=O)COC(=O)C3=CC4=C(C=CC=C4S3)F

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2F)C(=O)COC(=O)C3=CC4=C(C=CC=C4S3)F

InChI

InChI=1S/C21H18F2N2O3S/c22-15-5-3-7-18-14(15)12-19(29-18)21(27)28-13-20(26)25-10-8-24(9-11-25)17-6-2-1-4-16(17)23/h1-7,12H,8-11,13H2