(2-acetamido-1,3-thiazol-4-yl)methyl 1-[4-(trifluoromethyl)phenyl]carbonylpiperidine-4-carboxylate

Systemtic Name: (2-acetamido-1,3-thiazol-4-yl)methyl 1-[4-(trifluoromethyl)phenyl]carbonylpiperidine-4-carboxylate Openeye Name: (2-acetamidothiazol-4-yl)methyl 1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxylate CAS Name: 1-[oxo-[4-(trifluoromethyl)phenyl]methyl]-4-piperidinecarboxylic acid (2-acetamido-4-thiazolyl)methyl ester IUPAC Name: (2-acetamido-1,3-thiazol-4-yl)methyl 1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxylate Traditional Name: 1-[4-(trifluoromethyl)benzoyl]isonipecotic acid (2-acetamidothiazol-4-yl)methyl ester Formula: C20H20F3N3O4S MolecularWeight: 455.45071

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC(=CS1)COC(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

CC(=O)NC1=NC(=CS1)COC(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C20H20F3N3O4S/c1-12(27)24-19-25-16(11-31-19)10-30-18(29)14-6-8-26(9-7-14)17(28)13-2-4-15(5-3-13)20(21,22)23/h2-5,11,14H,6-10H2,1H3,(H,24,25,27)