[2-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoate

Systemtic Name: [2-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoate Openeye Name: [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-ethyl] 2-(4-bromo-2-methyl-phenyl)sulfanylacetate CAS Name: 2-[(4-bromo-2-methylphenyl)thio]acetic acid [2-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 2-(4-bromo-2-methylphenyl)sulfanylacetate Traditional Name: 2-[(4-bromo-2-methyl-phenyl)thio]acetic acid [2-[4-(2-furoyl)piperazino]-2-keto-ethyl] ester Formula: C20H21BrN2O5S MolecularWeight: 481.36014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)SCC(=O)OCC(=O)N2CCN(CC2)C(=O)C3=CC=CO3

Isomeric SMILES

CC1=C(C=CC(=C1)Br)SCC(=O)OCC(=O)N2CCN(CC2)C(=O)C3=CC=CO3

InChI

InChI=1S/C20H21BrN2O5S/c1-14-11-15(21)4-5-17(14)29-13-19(25)28-12-18(24)22-6-8-23(9-7-22)20(26)16-3-2-10-27-16/h2-5,10-11H,6-9,12-13H2,1H3