ethyl 1-[2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylethanoyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylethanoyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylacetyl]piperidine-3-carboxylate CAS Name: 1-[1-oxo-2-[[2-(trifluoromethyl)-4-quinazolinyl]thio]ethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylacetyl]piperidine-3-carboxylate Traditional Name: 1-[2-[[2-(trifluoromethyl)quinazolin-4-yl]thio]acetyl]nipecotic acid ethyl ester Formula: C19H20F3N3O3S MolecularWeight: 427.44061

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)CSC2=NC(=NC3=CC=CC=C32)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)CSC2=NC(=NC3=CC=CC=C32)C(F)(F)F

InChI

InChI=1S/C19H20F3N3O3S/c1-2-28-17(27)12-6-5-9-25(10-12)15(26)11-29-16-13-7-3-4-8-14(13)23-18(24-16)19(20,21)22/h3-4,7-8,12H,2,5-6,9-11H2,1H3