(5-oxidanylidene-5-piperidin-1-yl-pentyl) 6-bromanyl-3,4-dihydro-2H-thiochromene-8-carboxylate

Systemtic Name: (5-oxidanylidene-5-piperidin-1-yl-pentyl) 6-bromanyl-3,4-dihydro-2H-thiochromene-8-carboxylate Openeye Name: [5-oxo-5-(1-piperidyl)pentyl] 6-bromothiochromane-8-carboxylate CAS Name: 6-bromo-3,4-dihydro-2H-1-benzothiopyran-8-carboxylic acid [5-oxo-5-(1-piperidinyl)pentyl] ester IUPAC Name: (5-oxo-5-piperidin-1-ylpentyl) 6-bromo-3,4-dihydro-2H-thiochromene-8-carboxylate Traditional Name: 6-bromothiochroman-8-carboxylic acid (5-keto-5-piperidino-pentyl) ester Formula: C20H26BrNO3S MolecularWeight: 440.39434

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)CCCCOC(=O)C2=CC(=CC3=C2SCCC3)Br

Isomeric SMILES

C1CCN(CC1)C(=O)CCCCOC(=O)C2=CC(=CC3=C2SCCC3)Br

InChI

InChI=1S/C20H26BrNO3S/c21-16-13-15-7-6-12-26-19(15)17(14-16)20(24)25-11-5-2-8-18(23)22-9-3-1-4-10-22/h13-14H,1-12H2