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

Systemtic Name: phenyl 1-(4-chlorophenyl)spiro[1H-2-benzothiophene-3,4'-piperidine]-1'-carboxylate Openeye Name: phenyl 1-(4-chlorophenyl)spiro[1H-2-benzothiophene-3,4'-piperidine]-1'-carboxylate CAS Name: 1-(4-chlorophenyl)-1'-spiro[1H-2-benzothiophene-3,4'-piperidine]carboxylic acid phenyl ester IUPAC Name: phenyl 1-(4-chlorophenyl)spiro[1H-2-benzothiophene-3,4'-piperidine]-1'-carboxylate Traditional Name: 1-(4-chlorophenyl)spiro[1H-isobenzothiophene-3,4'-piperidine]-1'-carboxylic acid phenyl ester Formula: C25H22ClNO2S MolecularWeight: 435.96568

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H22ClNO2S/c26-19-12-10-18(11-13-19)23-21-8-4-5-9-22(21)25(30-23)14-16-27(17-15-25)24(28)29-20-6-2-1-3-7-20/h1-13,23H,14-17H2