phenyl 5-fluoranyl-1-phenyl-spiro[1H-2-benzothiophene-3,4'-piperidine]-1'-carboxylate

Systemtic Name: phenyl 5-fluoranyl-1-phenyl-spiro[1H-2-benzothiophene-3,4'-piperidine]-1'-carboxylate Openeye Name: phenyl 5-fluoro-1-phenyl-spiro[1H-2-benzothiophene-3,4'-piperidine]-1'-carboxylate CAS Name: 5-fluoro-1-phenyl-1'-spiro[1H-2-benzothiophene-3,4'-piperidine]carboxylic acid phenyl ester IUPAC Name: phenyl 5-fluoro-1-phenylspiro[1H-2-benzothiophene-3,4'-piperidine]-1'-carboxylate Traditional Name: 5-fluoro-1-phenyl-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=C(C=CC(=C3)F)C(S2)C4=CC=CC=C4)C(=O)OC5=CC=CC=C5

Isomeric SMILES

C1CN(CCC12C3=C(C=CC(=C3)F)C(S2)C4=CC=CC=C4)C(=O)OC5=CC=CC=C5

InChI

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