[2-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 4-(1,3-dithiolan-2-yl)benzoate

Systemtic Name: [2-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 4-(1,3-dithiolan-2-yl)benzoate Openeye Name: [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-ethyl] 4-(1,3-dithiolan-2-yl)benzoate CAS Name: 4-(1,3-dithiolan-2-yl)benzoic acid [2-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 4-(1,3-dithiolan-2-yl)benzoate Traditional Name: 4-(1,3-dithiolan-2-yl)benzoic acid [2-[4-(2-furoyl)piperazino]-2-keto-ethyl] ester Formula: C21H22N2O5S2 MolecularWeight: 446.53978

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)COC(=O)C2=CC=C(C=C2)C3SCCS3)C(=O)C4=CC=CO4

Isomeric SMILES

C1CN(CCN1C(=O)COC(=O)C2=CC=C(C=C2)C3SCCS3)C(=O)C4=CC=CO4

InChI

InChI=1S/C21H22N2O5S2/c24-18(22-7-9-23(10-8-22)19(25)17-2-1-11-27-17)14-28-20(26)15-3-5-16(6-4-15)21-29-12-13-30-21/h1-6,11,21H,7-10,12-14H2