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

Systemtic Name: [2-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 2-(5-chloranylthiophen-2-yl)quinoline-4-carboxylate Openeye Name: [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-ethyl] 2-(5-chloro-2-thienyl)quinoline-4-carboxylate CAS Name: 2-(5-chloro-2-thiophenyl)-4-quinolinecarboxylic 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-(5-chlorothiophen-2-yl)quinoline-4-carboxylate Traditional Name: 2-(5-chloro-2-thienyl)cinchoninic acid [2-[4-(2-furoyl)piperazino]-2-keto-ethyl] ester Formula: C25H20ClN3O5S MolecularWeight: 509.9614

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(S4)Cl)C(=O)C5=CC=CO5

Isomeric SMILES

C1CN(CCN1C(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(S4)Cl)C(=O)C5=CC=CO5

InChI

InChI=1S/C25H20ClN3O5S/c26-22-8-7-21(35-22)19-14-17(16-4-1-2-5-18(16)27-19)25(32)34-15-23(30)28-9-11-29(12-10-28)24(31)20-6-3-13-33-20/h1-8,13-14H,9-12,15H2