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

Systemtic Name: methyl 4-[2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylethanoylamino]butanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 4-[[2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylacetyl]amino]butanoate Traditional Name: 4-[[2-[[2-(trifluoromethyl)quinazolin-4-yl]thio]acetyl]amino]butyric acid methyl ester Formula: C16H16F3N3O3S MolecularWeight: 387.37675

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16F3N3O3S/c1-25-13(24)7-4-8-20-12(23)9-26-14-10-5-2-3-6-11(10)21-15(22-14)16(17,18)19/h2-3,5-6H,4,7-9H2,1H3,(H,20,23)