[2-(4-methylpiperidin-1-yl)-2-oxidanylidene-ethyl] 7-methoxy-4,5-dihydrobenzo[g][1]benzothiole-2-carboxylate

Systemtic Name: [2-(4-methylpiperidin-1-yl)-2-oxidanylidene-ethyl] 7-methoxy-4,5-dihydrobenzo[g][1]benzothiole-2-carboxylate Openeye Name: [2-(4-methyl-1-piperidyl)-2-oxo-ethyl] 7-methoxy-4,5-dihydrobenzo[g]benzothiophene-2-carboxylate CAS Name: 7-methoxy-4,5-dihydrobenzo[g][1]benzothiole-2-carboxylic acid [2-(4-methyl-1-piperidinyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 7-methoxy-4,5-dihydrobenzo[g][1]benzothiole-2-carboxylate Traditional Name: 7-methoxy-4,5-dihydrobenzo[g]benzothiophene-2-carboxylic acid [2-keto-2-(4-methylpiperidino)ethyl] ester Formula: C22H25NO4S MolecularWeight: 399.5032

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)COC(=O)C2=CC3=C(S2)C4=C(CC3)C=C(C=C4)OC

Isomeric SMILES

CC1CCN(CC1)C(=O)COC(=O)C2=CC3=C(S2)C4=C(CC3)C=C(C=C4)OC

InChI

InChI=1S/C22H25NO4S/c1-14-7-9-23(10-8-14)20(24)13-27-22(25)19-12-16-4-3-15-11-17(26-2)5-6-18(15)21(16)28-19/h5-6,11-12,14H,3-4,7-10,13H2,1-2H3