1-[4-[1,1-bis(oxidanylidene)thiolan-3-yl]piperazin-1-yl]-2-(6-ethyl-1-benzofuran-3-yl)ethanone

Systemtic Name: 1-[4-[1,1-bis(oxidanylidene)thiolan-3-yl]piperazin-1-yl]-2-(6-ethyl-1-benzofuran-3-yl)ethanone Openeye Name: 1-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]-2-(6-ethylbenzofuran-3-yl)ethanone CAS Name: 1-[4-(1,1-dioxo-3-thiolanyl)-1-piperazinyl]-2-(6-ethyl-3-benzofuranyl)ethanone IUPAC Name: 1-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]-2-(6-ethyl-1-benzofuran-3-yl)ethanone Traditional Name: 1-[4-(1,1-diketothiolan-3-yl)piperazino]-2-(6-ethylbenzofuran-3-yl)ethanone Formula: C20H26N2O4S MolecularWeight: 390.49644

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CO2)CC(=O)N3CCN(CC3)C4CCS(=O)(=O)C4

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CO2)CC(=O)N3CCN(CC3)C4CCS(=O)(=O)C4

InChI

InChI=1S/C20H26N2O4S/c1-2-15-3-4-18-16(13-26-19(18)11-15)12-20(23)22-8-6-21(7-9-22)17-5-10-27(24,25)14-17/h3-4,11,13,17H,2,5-10,12,14H2,1H3