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

Systemtic Name: [2-oxidanylidene-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 5-fluoranyl-1-benzothiophene-2-carboxylate Openeye Name: [2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 5-fluorobenzothiophene-2-carboxylate CAS Name: 5-fluoro-1-benzothiophene-2-carboxylic acid [2-[4-[anilino(oxo)methyl]-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 5-fluoro-1-benzothiophene-2-carboxylate Traditional Name: 5-fluorobenzothiophene-2-carboxylic acid [2-keto-2-[4-(phenylcarbamoyl)piperazino]ethyl] ester Formula: C22H20FN3O4S MolecularWeight: 441.475303

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)COC(=O)C2=CC3=C(S2)C=CC(=C3)F)C(=O)NC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C(=O)COC(=O)C2=CC3=C(S2)C=CC(=C3)F)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C22H20FN3O4S/c23-16-6-7-18-15(12-16)13-19(31-18)21(28)30-14-20(27)25-8-10-26(11-9-25)22(29)24-17-4-2-1-3-5-17/h1-7,12-13H,8-11,14H2,(H,24,29)