methyl 3-[2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylethanoylamino]benzoate

Systemtic Name: methyl 3-[2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylethanoylamino]benzoate Openeye Name: methyl 3-[[2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylacetyl]amino]benzoate CAS Name: 3-[[1-oxo-2-[[2-(trifluoromethyl)-4-quinazolinyl]thio]ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylacetyl]amino]benzoate Traditional Name: 3-[[2-[[2-(trifluoromethyl)quinazolin-4-yl]thio]acetyl]amino]benzoic acid methyl ester Formula: C19H14F3N3O3S MolecularWeight: 421.39297

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H14F3N3O3S/c1-28-17(27)11-5-4-6-12(9-11)23-15(26)10-29-16-13-7-2-3-8-14(13)24-18(25-16)19(20,21)22/h2-9H,10H2,1H3,(H,23,26)