[2-oxidanylidene-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 3-ethyl-2-propyl-quinoline-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 3-ethyl-2-propyl-quinoline-4-carboxylate Openeye Name: [2-oxo-2-[(4-phenylthiazol-2-yl)amino]ethyl] 3-ethyl-2-propyl-quinoline-4-carboxylate CAS Name: 3-ethyl-2-propyl-4-quinolinecarboxylic acid [2-oxo-2-[(4-phenyl-2-thiazolyl)amino]ethyl] ester IUPAC Name: [2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 3-ethyl-2-propylquinoline-4-carboxylate Traditional Name: 3-ethyl-2-propyl-cinchoninic acid [2-keto-2-[(4-phenylthiazol-2-yl)amino]ethyl] ester Formula: C26H25N3O3S MolecularWeight: 459.56

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=CC=CC=C2C(=C1CC)C(=O)OCC(=O)NC3=NC(=CS3)C4=CC=CC=C4

Isomeric SMILES

CCCC1=NC2=CC=CC=C2C(=C1CC)C(=O)OCC(=O)NC3=NC(=CS3)C4=CC=CC=C4

InChI

InChI=1S/C26H25N3O3S/c1-3-10-20-18(4-2)24(19-13-8-9-14-21(19)27-20)25(31)32-15-23(30)29-26-28-22(16-33-26)17-11-6-5-7-12-17/h5-9,11-14,16H,3-4,10,15H2,1-2H3,(H,28,29,30)