tert-butyl 2-[4-oxidanylidene-3-[2-(trifluoromethyl)phenyl]quinazolin-2-yl]sulfanylethanoate

Systemtic Name: tert-butyl 2-[4-oxidanylidene-3-[2-(trifluoromethyl)phenyl]quinazolin-2-yl]sulfanylethanoate Openeye Name: tert-butyl 2-[4-oxo-3-[2-(trifluoromethyl)phenyl]quinazolin-2-yl]sulfanylacetate CAS Name: 2-[[4-oxo-3-[2-(trifluoromethyl)phenyl]-2-quinazolinyl]thio]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-oxo-3-[2-(trifluoromethyl)phenyl]quinazolin-2-yl]sulfanylacetate Traditional Name: 2-[[4-keto-3-[2-(trifluoromethyl)phenyl]quinazolin-2-yl]thio]acetic acid tert-butyl ester Formula: C21H19F3N2O3S MolecularWeight: 436.44737

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3=CC=CC=C3C(F)(F)F

Isomeric SMILES

CC(C)(C)OC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C21H19F3N2O3S/c1-20(2,3)29-17(27)12-30-19-25-15-10-6-4-8-13(15)18(28)26(19)16-11-7-5-9-14(16)21(22,23)24/h4-11H,12H2,1-3H3