Butanedioic acid, [[2-(trifluoromethyl)-4-quinazolinyl]thio]-, dimethyl ester

SpectraBase Compound ID	22nEoLiY6Ti
InChI	InChI=1S/C15H13F3N2O4S/c1-23-11(21)7-10(13(22)24-2)25-12-8-5-3-4-6-9(8)19-14(20-12)15(16,17)18/h3-6,10H,7H2,1-2H3
InChIKey	QCTVCZHJCADTGT-UHFFFAOYSA-N Google Search
Mol Weight	374.33 g/mol
Molecular Formula	C15H13F3N2O4S
Exact Mass	374.054813 g/mol

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SpectraBase Spectrum ID	8PbxzsXk5yu
Name	Butanedioic acid, [[2-(trifluoromethyl)-4-quinazolinyl]thio]-, dimethyl ester
Alternate Name(s)	Dimethyl 2-{[2-(trifluoromethyl)-4-quinazolinyl]sulfanyl}succinate Methyl 3-[(2-(trifluoromethyl)quinazolin-4-yl)thio]-3-(methoxycarbonyl)propionate
CAS Registry Number	95616-46-9
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C15H13F3N2O4S
InChI	InChI=1S/C15H13F3N2O4S/c1-23-11(21)7-10(13(22)24-2)25-12-8-5-3-4-6-9(8)19-14(20-12)15(16,17)18/h3-6,10H,7H2,1-2H3
InChIKey	QCTVCZHJCADTGT-UHFFFAOYSA-N
Molecular Weight	374.334 g/mol
SMILES	c1(nc(C(F)(F)F)nc2c1cccc2)SC(CC(=O)OC)C(=O)OC
SPLASH	splash10-001i-0093000000-bf90d1958e3cc8b4ee3c
Source of Spectrum	J-50-1674-6
Wiley ID	1356349