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

Systemtic Name: [2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl] 4-fluoranyl-1-benzothiophene-2-carboxylate Openeye Name: [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 4-fluorobenzothiophene-2-carboxylate CAS Name: 4-fluoro-1-benzothiophene-2-carboxylic acid [2-oxo-2-(4-phenyl-1-piperazinyl)ethyl] ester IUPAC Name: [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 4-fluoro-1-benzothiophene-2-carboxylate Traditional Name: 4-fluorobenzothiophene-2-carboxylic acid [2-keto-2-(4-phenylpiperazino)ethyl] ester Formula: C21H19FN2O3S MolecularWeight: 398.450563

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)COC(=O)C3=CC4=C(C=CC=C4S3)F

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)COC(=O)C3=CC4=C(C=CC=C4S3)F

InChI

InChI=1S/C21H19FN2O3S/c22-17-7-4-8-18-16(17)13-19(28-18)21(26)27-14-20(25)24-11-9-23(10-12-24)15-5-2-1-3-6-15/h1-8,13H,9-12,14H2