(3,3-dimethyl-2-oxidanylidene-butyl) 2-[2-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-[2-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]-2-oxoethyl]thio]benzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-[4-(2-furoyl)piperazino]-2-keto-ethyl]thio]benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C24H28N2O6S MolecularWeight: 472.55392

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C1=CC=CC=C1SCC(=O)N2CCN(CC2)C(=O)C3=CC=CO3

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C1=CC=CC=C1SCC(=O)N2CCN(CC2)C(=O)C3=CC=CO3

InChI

InChI=1S/C24H28N2O6S/c1-24(2,3)20(27)15-32-23(30)17-7-4-5-9-19(17)33-16-21(28)25-10-12-26(13-11-25)22(29)18-8-6-14-31-18/h4-9,14H,10-13,15-16H2,1-3H3