2-[[6-bromanyl-3-(4-ethoxycarbonylphenyl)-4-oxidanylidene-quinazolin-2-yl]methylsulfanyl]ethanoic acid

SpectraBase Compound ID	9UWKbfDJEFg
InChI	InChI=1S/C20H17BrN2O5S/c1-2-28-20(27)12-3-6-14(7-4-12)23-17(10-29-11-18(24)25)22-16-8-5-13(21)9-15(16)19(23)26/h3-9H,2,10-11H2,1H3,(H,24,25)
InChIKey	PTWSRMIEXUYYDA-UHFFFAOYSA-N Google Search
Mol Weight	477.33 g/mol
Molecular Formula	C20H17BrN2O5S
Exact Mass	476.004156 g/mol

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SpectraBase Spectrum ID	BZzQ1YzxSJX
Name	2-[[6-bromanyl-3-(4-ethoxycarbonylphenyl)-4-oxidanylidene-quinazolin-2-yl]methylsulfanyl]ethanoic acid
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C20H17BrN2O5S
InChI	InChI=1S/C20H17BrN2O5S/c1-2-28-20(27)12-3-6-14(7-4-12)23-17(10-29-11-18(24)25)22-16-8-5-13(21)9-15(16)19(23)26/h3-9H,2,10-11H2,1H3,(H,24,25)
InChIKey	PTWSRMIEXUYYDA-UHFFFAOYSA-N
Molecular Weight	477.329 g/mol
SMILES	OC(CSCC=1N(C(c2c(N1)ccc(c2)Br)=O)c1ccc(C(=O)OCC)cc1)=O
SPLASH	splash10-0a4i-0029000000-2908a7193fbc1dfc243c
Source of Spectrum	Y1-33-263-6
Synonyms	2-[[6-bromo-3-(4-carbethoxyphenyl)-4-keto-quinazolin-2-yl]methylthio]acetic acid 2-[[6-bromo-3-(4-ethoxycarbonylphenyl)-4-oxo-2-quinazolinyl]methylthio]acetic acid 2-[[6-bromo-3-(4-ethoxycarbonylphenyl)-4-oxo-quinazolin-2-yl]methylsulfanyl]acetic acid
Wiley ID	1526231