[2-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 2-thiophen-2-ylquinoline-4-carboxylate

Systemtic Name: [2-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 2-thiophen-2-ylquinoline-4-carboxylate Openeye Name: [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-ethyl] 2-(2-thienyl)quinoline-4-carboxylate CAS Name: 2-thiophen-2-yl-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-thiophen-2-ylquinoline-4-carboxylate Traditional Name: 2-(2-thienyl)cinchoninic acid [2-[4-(2-furoyl)piperazino]-2-keto-ethyl] ester Formula: C25H21N3O5S MolecularWeight: 475.51634

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CS4)C(=O)C5=CC=CO5

Isomeric SMILES

C1CN(CCN1C(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CS4)C(=O)C5=CC=CO5

InChI

InChI=1S/C25H21N3O5S/c29-23(27-9-11-28(12-10-27)24(30)21-7-3-13-32-21)16-33-25(31)18-15-20(22-8-4-14-34-22)26-19-6-2-1-5-17(18)19/h1-8,13-15H,9-12,16H2