[2-oxidanylidene-2-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethyl] 3-ethyl-2-propyl-quinoline-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethyl] 3-ethyl-2-propyl-quinoline-4-carboxylate Openeye Name: [2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl] 3-ethyl-2-propyl-quinoline-4-carboxylate CAS Name: 3-ethyl-2-propyl-4-quinolinecarboxylic acid [2-oxo-2-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]ethyl] ester IUPAC Name: [2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl] 3-ethyl-2-propylquinoline-4-carboxylate Traditional Name: 3-ethyl-2-propyl-cinchoninic acid [2-keto-2-[4-(2-thenoyl)piperazino]ethyl] ester Formula: C26H29N3O4S MolecularWeight: 479.59116

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=CC=CC=C2C(=C1CC)C(=O)OCC(=O)N3CCN(CC3)C(=O)C4=CC=CS4

Isomeric SMILES

CCCC1=NC2=CC=CC=C2C(=C1CC)C(=O)OCC(=O)N3CCN(CC3)C(=O)C4=CC=CS4

InChI

InChI=1S/C26H29N3O4S/c1-3-8-20-18(4-2)24(19-9-5-6-10-21(19)27-20)26(32)33-17-23(30)28-12-14-29(15-13-28)25(31)22-11-7-16-34-22/h5-7,9-11,16H,3-4,8,12-15,17H2,1-2H3