[1-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-1-oxidanylidene-propan-2-yl] 2-(5-chloranylthiophen-2-yl)quinoline-4-carboxylate

Systemtic Name: [1-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-1-oxidanylidene-propan-2-yl] 2-(5-chloranylthiophen-2-yl)quinoline-4-carboxylate Openeye Name: [2-[4-(furan-2-carbonyl)piperazin-1-yl]-1-methyl-2-oxo-ethyl] 2-(5-chloro-2-thienyl)quinoline-4-carboxylate CAS Name: 2-(5-chloro-2-thiophenyl)-4-quinolinecarboxylic acid [1-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]-1-oxopropan-2-yl] ester IUPAC Name: [1-[4-(furan-2-carbonyl)piperazin-1-yl]-1-oxopropan-2-yl] 2-(5-chlorothiophen-2-yl)quinoline-4-carboxylate Traditional Name: 2-(5-chloro-2-thienyl)cinchoninic acid [2-[4-(2-furoyl)piperazino]-2-keto-1-methyl-ethyl] ester Formula: C26H22ClN3O5S MolecularWeight: 523.98798

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)C(=O)C2=CC=CO2)OC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=C(S5)Cl

Isomeric SMILES

CC(C(=O)N1CCN(CC1)C(=O)C2=CC=CO2)OC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=C(S5)Cl

InChI

InChI=1S/C26H22ClN3O5S/c1-16(24(31)29-10-12-30(13-11-29)25(32)21-7-4-14-34-21)35-26(33)18-15-20(22-8-9-23(27)36-22)28-19-6-3-2-5-17(18)19/h2-9,14-16H,10-13H2,1H3