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

Systemtic Name: methyl (2R)-4-methyl-2-[2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylethanoylamino]pentanoate Openeye Name: methyl (2R)-4-methyl-2-[[2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylacetyl]amino]pentanoate CAS Name: (2R)-4-methyl-2-[[1-oxo-2-[[2-(trifluoromethyl)-4-quinazolinyl]thio]ethyl]amino]pentanoic acid methyl ester IUPAC Name: methyl (2R)-4-methyl-2-[[2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylacetyl]amino]pentanoate Traditional Name: (2R)-4-methyl-2-[[2-[[2-(trifluoromethyl)quinazolin-4-yl]thio]acetyl]amino]valeric acid methyl ester Formula: C18H20F3N3O3S MolecularWeight: 415.42991

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC)NC(=O)CSC1=NC(=NC2=CC=CC=C21)C(F)(F)F

Isomeric SMILES

CC(C)C[C@H](C(=O)OC)NC(=O)CSC1=NC(=NC2=CC=CC=C21)C(F)(F)F

InChI

InChI=1S/C18H20F3N3O3S/c1-10(2)8-13(16(26)27-3)22-14(25)9-28-15-11-6-4-5-7-12(11)23-17(24-15)18(19,20)21/h4-7,10,13H,8-9H2,1-3H3,(H,22,25)/t13-/m1/s1