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

Systemtic Name: phenyl 1-(4-methylphenyl)spiro[1H-2-benzothiophene-3,4'-piperidine]-1'-carboxylate Openeye Name: phenyl 1-(p-tolyl)spiro[1H-2-benzothiophene-3,4'-piperidine]-1'-carboxylate CAS Name: 1-(4-methylphenyl)-1'-spiro[1H-2-benzothiophene-3,4'-piperidine]carboxylic acid phenyl ester IUPAC Name: phenyl 1-(4-methylphenyl)spiro[1H-2-benzothiophene-3,4'-piperidine]-1'-carboxylate Traditional Name: 1-(p-tolyl)spiro[1H-isobenzothiophene-3,4'-piperidine]-1'-carboxylic acid phenyl ester Formula: C26H25NO2S MolecularWeight: 415.5472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2C3=CC=CC=C3C4(S2)CCN(CC4)C(=O)OC5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)C2C3=CC=CC=C3C4(S2)CCN(CC4)C(=O)OC5=CC=CC=C5

InChI

InChI=1S/C26H25NO2S/c1-19-11-13-20(14-12-19)24-22-9-5-6-10-23(22)26(30-24)15-17-27(18-16-26)25(28)29-21-7-3-2-4-8-21/h2-14,24H,15-18H2,1H3