[2-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 3-phenylsulfanylpropanoate

Systemtic Name: [2-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 3-phenylsulfanylpropanoate Openeye Name: [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-ethyl] 3-phenylsulfanylpropanoate CAS Name: 3-(phenylthio)propanoic acid [2-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 3-phenylsulfanylpropanoate Traditional Name: 3-(phenylthio)propionic acid [2-[4-(2-furoyl)piperazino]-2-keto-ethyl] ester Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)COC(=O)CCSC2=CC=CC=C2)C(=O)C3=CC=CO3

Isomeric SMILES

C1CN(CCN1C(=O)COC(=O)CCSC2=CC=CC=C2)C(=O)C3=CC=CO3

InChI

InChI=1S/C20H22N2O5S/c23-18(15-27-19(24)8-14-28-16-5-2-1-3-6-16)21-9-11-22(12-10-21)20(25)17-7-4-13-26-17/h1-7,13H,8-12,14-15H2