methyl (2R)-2-[4-oxidanylidene-3-[3-(trifluoromethyl)phenyl]quinazolin-2-yl]sulfanylpropanoate

Systemtic Name: methyl (2R)-2-[4-oxidanylidene-3-[3-(trifluoromethyl)phenyl]quinazolin-2-yl]sulfanylpropanoate Openeye Name: methyl (2R)-2-[4-oxo-3-[3-(trifluoromethyl)phenyl]quinazolin-2-yl]sulfanylpropanoate CAS Name: (2R)-2-[[4-oxo-3-[3-(trifluoromethyl)phenyl]-2-quinazolinyl]thio]propanoic acid methyl ester IUPAC Name: methyl (2R)-2-[4-oxo-3-[3-(trifluoromethyl)phenyl]quinazolin-2-yl]sulfanylpropanoate Traditional Name: (2R)-2-[[4-keto-3-[3-(trifluoromethyl)phenyl]quinazolin-2-yl]thio]propionic acid methyl ester Formula: C19H15F3N2O3S MolecularWeight: 408.39421

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)SC1=NC2=CC=CC=C2C(=O)N1C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

C[C@H](C(=O)OC)SC1=NC2=CC=CC=C2C(=O)N1C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C19H15F3N2O3S/c1-11(17(26)27-2)28-18-23-15-9-4-3-8-14(15)16(25)24(18)13-7-5-6-12(10-13)19(20,21)22/h3-11H,1-2H3/t11-/m1/s1