[2-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 2-methoxy-4-methylsulfanyl-benzoate

Systemtic Name: [2-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 2-methoxy-4-methylsulfanyl-benzoate Openeye Name: [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-ethyl] 2-methoxy-4-methylsulfanyl-benzoate CAS Name: 2-methoxy-4-(methylthio)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] 2-methoxy-4-methylsulfanylbenzoate Traditional Name: 2-methoxy-4-(methylthio)benzoic acid [2-[4-(2-furoyl)piperazino]-2-keto-ethyl] ester Formula: C20H22N2O6S MolecularWeight: 418.46348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)SC)C(=O)OCC(=O)N2CCN(CC2)C(=O)C3=CC=CO3

Isomeric SMILES

COC1=C(C=CC(=C1)SC)C(=O)OCC(=O)N2CCN(CC2)C(=O)C3=CC=CO3

InChI

InChI=1S/C20H22N2O6S/c1-26-17-12-14(29-2)5-6-15(17)20(25)28-13-18(23)21-7-9-22(10-8-21)19(24)16-4-3-11-27-16/h3-6,11-12H,7-10,13H2,1-2H3