[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 5-fluoranyl-1-benzothiophene-2-carboxylate

Systemtic Name: [2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 5-fluoranyl-1-benzothiophene-2-carboxylate Openeye Name: [2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxo-ethyl] 5-fluorobenzothiophene-2-carboxylate CAS Name: 5-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] 5-fluoro-1-benzothiophene-2-carboxylate Traditional Name: 5-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(S3)C=CC(=C4)F

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2F)C(=O)COC(=O)C3=CC4=C(S3)C=CC(=C4)F

InChI

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