ethyl 4-[(2S)-2-oxidanyl-3-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-propoxy]benzoate

Systemtic Name: ethyl 4-[(2S)-2-oxidanyl-3-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-propoxy]benzoate Openeye Name: ethyl 4-[(2S)-2-hydroxy-3-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-propoxy]benzoate CAS Name: 4-[(2S)-2-hydroxy-3-[[2-(trifluoromethyl)-4-quinazolinyl]thio]propoxy]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(2S)-2-hydroxy-3-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylpropoxy]benzoate Traditional Name: 4-[(2S)-2-hydroxy-3-[[2-(trifluoromethyl)quinazolin-4-yl]thio]propoxy]benzoic acid ethyl ester Formula: C21H19F3N2O4S MolecularWeight: 452.44677

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)OC[C@@H](CSC2=NC(=NC3=CC=CC=C32)C(F)(F)F)O

InChI

InChI=1S/C21H19F3N2O4S/c1-2-29-19(28)13-7-9-15(10-8-13)30-11-14(27)12-31-18-16-5-3-4-6-17(16)25-20(26-18)21(22,23)24/h3-10,14,27H,2,11-12H2,1H3/t14-/m0/s1