phenyl 1-(3-fluorophenyl)spiro[1H-2-benzothiophene-3,4'-piperidine]-1'-carboxylate

Systemtic Name: phenyl 1-(3-fluorophenyl)spiro[1H-2-benzothiophene-3,4'-piperidine]-1'-carboxylate Openeye Name: phenyl 1-(3-fluorophenyl)spiro[1H-2-benzothiophene-3,4'-piperidine]-1'-carboxylate CAS Name: 1-(3-fluorophenyl)-1'-spiro[1H-2-benzothiophene-3,4'-piperidine]carboxylic acid phenyl ester IUPAC Name: phenyl 1-(3-fluorophenyl)spiro[1H-2-benzothiophene-3,4'-piperidine]-1'-carboxylate Traditional Name: 1-(3-fluorophenyl)spiro[1H-isobenzothiophene-3,4'-piperidine]-1'-carboxylic acid phenyl ester Formula: C25H22FNO2S MolecularWeight: 419.511083

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC12C3=CC=CC=C3C(S2)C4=CC(=CC=C4)F)C(=O)OC5=CC=CC=C5

Isomeric SMILES

C1CN(CCC12C3=CC=CC=C3C(S2)C4=CC(=CC=C4)F)C(=O)OC5=CC=CC=C5

InChI

InChI=1S/C25H22FNO2S/c26-19-8-6-7-18(17-19)23-21-11-4-5-12-22(21)25(30-23)13-15-27(16-14-25)24(28)29-20-9-2-1-3-10-20/h1-12,17,23H,13-16H2