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

Systemtic Name: [2-(4-ethanoylpiperazin-1-yl)-2-oxidanylidene-ethyl] 4,5-dihydrobenzo[g][1]benzothiole-2-carboxylate Openeye Name: [2-(4-acetylpiperazin-1-yl)-2-oxo-ethyl] 4,5-dihydrobenzo[g]benzothiophene-2-carboxylate CAS Name: 4,5-dihydrobenzo[g][1]benzothiole-2-carboxylic acid [2-(4-acetyl-1-piperazinyl)-2-oxoethyl] ester IUPAC Name: [2-(4-acetylpiperazin-1-yl)-2-oxoethyl] 4,5-dihydrobenzo[g][1]benzothiole-2-carboxylate Traditional Name: 4,5-dihydrobenzo[g]benzothiophene-2-carboxylic acid [2-(4-acetylpiperazino)-2-keto-ethyl] ester Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C(=O)COC(=O)C2=CC3=C(S2)C4=CC=CC=C4CC3

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=O)COC(=O)C2=CC3=C(S2)C4=CC=CC=C4CC3

InChI

InChI=1S/C21H22N2O4S/c1-14(24)22-8-10-23(11-9-22)19(25)13-27-21(26)18-12-16-7-6-15-4-2-3-5-17(15)20(16)28-18/h2-5,12H,6-11,13H2,1H3