ethyl 1-[(2S)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylpropanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[(2S)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylpropanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(2S)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylpropanoyl]piperidine-4-carboxylate CAS Name: 1-[(2S)-1-oxo-2-[[2-(trifluoromethyl)-4-quinazolinyl]thio]propyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(2S)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylpropanoyl]piperidine-4-carboxylate Traditional Name: 1-[(2S)-2-[[2-(trifluoromethyl)quinazolin-4-yl]thio]propanoyl]isonipecotic acid ethyl ester Formula: C20H22F3N3O3S MolecularWeight: 441.46719

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C(C)SC2=NC(=NC3=CC=CC=C32)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)[C@H](C)SC2=NC(=NC3=CC=CC=C32)C(F)(F)F

InChI

InChI=1S/C20H22F3N3O3S/c1-3-29-18(28)13-8-10-26(11-9-13)17(27)12(2)30-16-14-6-4-5-7-15(14)24-19(25-16)20(21,22)23/h4-7,12-13H,3,8-11H2,1-2H3/t12-/m0/s1