tert-butyl 2-[3-[2,5-bis(trifluoromethyl)phenyl]-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoate

Systemtic Name: tert-butyl 2-[3-[2,5-bis(trifluoromethyl)phenyl]-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoate Openeye Name: tert-butyl 2-[3-[2,5-bis(trifluoromethyl)phenyl]-4-oxo-quinazolin-2-yl]sulfanylacetate CAS Name: 2-[[3-[2,5-bis(trifluoromethyl)phenyl]-4-oxo-2-quinazolinyl]thio]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[3-[2,5-bis(trifluoromethyl)phenyl]-4-oxoquinazolin-2-yl]sulfanylacetate Traditional Name: 2-[[3-[2,5-bis(trifluoromethyl)phenyl]-4-keto-quinazolin-2-yl]thio]acetic acid tert-butyl ester Formula: C22H18F6N2O3S MolecularWeight: 504.445339

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3=C(C=CC(=C3)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CC(C)(C)OC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3=C(C=CC(=C3)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C22H18F6N2O3S/c1-20(2,3)33-17(31)11-34-19-29-15-7-5-4-6-13(15)18(32)30(19)16-10-12(21(23,24)25)8-9-14(16)22(26,27)28/h4-10H,11H2,1-3H3