(2-phenyl-1,3-thiazol-4-yl)methyl 3-ethyl-2-propyl-quinoline-4-carboxylate

Systemtic Name: (2-phenyl-1,3-thiazol-4-yl)methyl 3-ethyl-2-propyl-quinoline-4-carboxylate Openeye Name: (2-phenylthiazol-4-yl)methyl 3-ethyl-2-propyl-quinoline-4-carboxylate CAS Name: 3-ethyl-2-propyl-4-quinolinecarboxylic acid (2-phenyl-4-thiazolyl)methyl ester IUPAC Name: (2-phenyl-1,3-thiazol-4-yl)methyl 3-ethyl-2-propylquinoline-4-carboxylate Traditional Name: 3-ethyl-2-propyl-cinchoninic acid (2-phenylthiazol-4-yl)methyl ester Formula: C25H24N2O2S MolecularWeight: 416.53526

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=CC=CC=C2C(=C1CC)C(=O)OCC3=CSC(=N3)C4=CC=CC=C4

Isomeric SMILES

CCCC1=NC2=CC=CC=C2C(=C1CC)C(=O)OCC3=CSC(=N3)C4=CC=CC=C4

InChI

InChI=1S/C25H24N2O2S/c1-3-10-21-19(4-2)23(20-13-8-9-14-22(20)27-21)25(28)29-15-18-16-30-24(26-18)17-11-6-5-7-12-17/h5-9,11-14,16H,3-4,10,15H2,1-2H3