methyl 1-[2-(4,5-dihydrobenzo[g][1]benzothiol-2-ylcarbonyloxy)ethanoyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[2-(4,5-dihydrobenzo[g][1]benzothiol-2-ylcarbonyloxy)ethanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-(4,5-dihydrobenzo[g]benzothiophene-2-carbonyloxy)acetyl]piperidine-4-carboxylate CAS Name: 1-[2-[4,5-dihydrobenzo[g][1]benzothiol-2-yl(oxo)methoxy]-1-oxoethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(4,5-dihydrobenzo[g][1]benzothiole-2-carbonyloxy)acetyl]piperidine-4-carboxylate Traditional Name: 1-[2-(4,5-dihydrobenzo[g]benzothiophene-2-carbonyloxy)acetyl]isonipecotic acid methyl ester Formula: C22H23NO5S MolecularWeight: 413.48672

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C(=O)COC(=O)C2=CC3=C(S2)C4=CC=CC=C4CC3

Isomeric SMILES

COC(=O)C1CCN(CC1)C(=O)COC(=O)C2=CC3=C(S2)C4=CC=CC=C4CC3

InChI

InChI=1S/C22H23NO5S/c1-27-21(25)15-8-10-23(11-9-15)19(24)13-28-22(26)18-12-16-7-6-14-4-2-3-5-17(14)20(16)29-18/h2-5,12,15H,6-11,13H2,1H3