ethyl 1-(4,5-dihydrobenzo[g][1]benzothiol-2-ylcarbonyl)piperidine-3-carboxylate

Systemtic Name: ethyl 1-(4,5-dihydrobenzo[g][1]benzothiol-2-ylcarbonyl)piperidine-3-carboxylate Openeye Name: ethyl 1-(4,5-dihydrobenzo[g]benzothiophene-2-carbonyl)piperidine-3-carboxylate CAS Name: 1-[4,5-dihydrobenzo[g][1]benzothiol-2-yl(oxo)methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(4,5-dihydrobenzo[g][1]benzothiole-2-carbonyl)piperidine-3-carboxylate Traditional Name: 1-(4,5-dihydrobenzo[g]benzothiophene-2-carbonyl)nipecotic acid ethyl ester Formula: C21H23NO3S MolecularWeight: 369.47722

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=CC3=C(S2)C4=CC=CC=C4CC3

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C2=CC3=C(S2)C4=CC=CC=C4CC3

InChI

InChI=1S/C21H23NO3S/c1-2-25-21(24)16-7-5-11-22(13-16)20(23)18-12-15-10-9-14-6-3-4-8-17(14)19(15)26-18/h3-4,6,8,12,16H,2,5,7,9-11,13H2,1H3