ethyl 2-(4-methyl-1,3-thiazol-2-yl)-3-oxidanylidene-4-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-butanoate

Systemtic Name: ethyl 2-(4-methyl-1,3-thiazol-2-yl)-3-oxidanylidene-4-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-butanoate Openeye Name: ethyl 2-(4-methylthiazol-2-yl)-3-oxo-4-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-butanoate CAS Name: 2-(4-methyl-2-thiazolyl)-3-oxo-4-[[2-(trifluoromethyl)-4-quinazolinyl]thio]butanoic acid ethyl ester IUPAC Name: ethyl 2-(4-methyl-1,3-thiazol-2-yl)-3-oxo-4-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylbutanoate Traditional Name: 3-keto-2-(4-methylthiazol-2-yl)-4-[[2-(trifluoromethyl)quinazolin-4-yl]thio]butyric acid ethyl ester Formula: C19H16F3N3O3S2 MolecularWeight: 455.47385

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=NC(=CS1)C)C(=O)CSC2=NC(=NC3=CC=CC=C32)C(F)(F)F

Isomeric SMILES

CCOC(=O)C(C1=NC(=CS1)C)C(=O)CSC2=NC(=NC3=CC=CC=C32)C(F)(F)F

InChI

InChI=1S/C19H16F3N3O3S2/c1-3-28-17(27)14(16-23-10(2)8-29-16)13(26)9-30-15-11-6-4-5-7-12(11)24-18(25-15)19(20,21)22/h4-8,14H,3,9H2,1-2H3