ethyl 3-oxidanylidene-4-[4-oxidanylidene-3-[3-(trifluoromethyl)phenyl]quinazolin-2-yl]sulfanyl-butanoate

Systemtic Name: ethyl 3-oxidanylidene-4-[4-oxidanylidene-3-[3-(trifluoromethyl)phenyl]quinazolin-2-yl]sulfanyl-butanoate Openeye Name: ethyl 3-oxo-4-[4-oxo-3-[3-(trifluoromethyl)phenyl]quinazolin-2-yl]sulfanyl-butanoate CAS Name: 3-oxo-4-[[4-oxo-3-[3-(trifluoromethyl)phenyl]-2-quinazolinyl]thio]butanoic acid ethyl ester IUPAC Name: ethyl 3-oxo-4-[4-oxo-3-[3-(trifluoromethyl)phenyl]quinazolin-2-yl]sulfanylbutanoate Traditional Name: 3-keto-4-[[4-keto-3-[3-(trifluoromethyl)phenyl]quinazolin-2-yl]thio]butyric acid ethyl ester Formula: C21H17F3N2O4S MolecularWeight: 450.43089

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17F3N2O4S/c1-2-30-18(28)11-15(27)12-31-20-25-17-9-4-3-8-16(17)19(29)26(20)14-7-5-6-13(10-14)21(22,23)24/h3-10H,2,11-12H2,1H3