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

Systemtic Name: (2-acetamido-1,3-thiazol-4-yl)methyl 3-ethyl-2-propyl-quinoline-4-carboxylate Openeye Name: (2-acetamidothiazol-4-yl)methyl 3-ethyl-2-propyl-quinoline-4-carboxylate CAS Name: 3-ethyl-2-propyl-4-quinolinecarboxylic acid (2-acetamido-4-thiazolyl)methyl ester IUPAC Name: (2-acetamido-1,3-thiazol-4-yl)methyl 3-ethyl-2-propylquinoline-4-carboxylate Traditional Name: 3-ethyl-2-propyl-cinchoninic acid (2-acetamidothiazol-4-yl)methyl ester Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O3S/c1-4-8-17-15(5-2)19(16-9-6-7-10-18(16)24-17)20(26)27-11-14-12-28-21(23-14)22-13(3)25/h6-7,9-10,12H,4-5,8,11H2,1-3H3,(H,22,23,25)