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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)COC(=O)C2=CC3=C(C=CC=C3S2)F)C(=O)NC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C(=O)COC(=O)C2=CC3=C(C=CC=C3S2)F)C(=O)NC4=CC=CC=C4

InChI

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