ethyl 4-[2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylethanoylamino]butanoate

Systemtic Name: ethyl 4-[2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylethanoylamino]butanoate Openeye Name: ethyl 4-[[2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylacetyl]amino]butanoate CAS Name: 4-[[1-oxo-2-[[2-(trifluoromethyl)-4-quinazolinyl]thio]ethyl]amino]butanoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylacetyl]amino]butanoate Traditional Name: 4-[[2-[[2-(trifluoromethyl)quinazolin-4-yl]thio]acetyl]amino]butyric acid ethyl ester Formula: C17H18F3N3O3S MolecularWeight: 401.40333

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCNC(=O)CSC1=NC(=NC2=CC=CC=C21)C(F)(F)F

Isomeric SMILES

CCOC(=O)CCCNC(=O)CSC1=NC(=NC2=CC=CC=C21)C(F)(F)F

InChI

InChI=1S/C17H18F3N3O3S/c1-2-26-14(25)8-5-9-21-13(24)10-27-15-11-6-3-4-7-12(11)22-16(23-15)17(18,19)20/h3-4,6-7H,2,5,8-10H2,1H3,(H,21,24)