3-[4'-(Ethoxycarbonyl)phenyl]-2-[(1"-hydroxycarbonyl)ethylthiomethyl]-4(3H)-quinazolin-4-one

SpectraBase Compound ID	E9W3MhwrZnM
InChI	InChI=1S/C21H20N2O5S/c1-3-28-21(27)14-8-10-15(11-9-14)23-18(12-29-13(2)20(25)26)22-17-7-5-4-6-16(17)19(23)24/h4-11,13H,3,12H2,1-2H3,(H,25,26)
InChIKey	PGCTWPDTBVUYKT-UHFFFAOYSA-N Google Search
Mol Weight	412.46 g/mol
Molecular Formula	C21H20N2O5S
Exact Mass	412.109293 g/mol

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SpectraBase Spectrum ID	2unsLzfBj6
Name	3-[4'-(Ethoxycarbonyl)phenyl]-2-[(1"-hydroxycarbonyl)ethylthiomethyl]-4(3H)-quinazolin-4-one
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C21H20N2O5S
InChI	InChI=1S/C21H20N2O5S/c1-3-28-21(27)14-8-10-15(11-9-14)23-18(12-29-13(2)20(25)26)22-17-7-5-4-6-16(17)19(23)24/h4-11,13H,3,12H2,1-2H3,(H,25,26)
InChIKey	PGCTWPDTBVUYKT-UHFFFAOYSA-N
Molecular Weight	412.460 g/mol
SMILES	OC(C(SCC=1N(C(c2c(cccc2)N1)=O)c1ccc(C(=O)OCC)cc1)C)=O
SPLASH	splash10-0a4i-0029000000-9ae0586c3b775baad63a
Source of Spectrum	G-58-1967-0
Synonyms	3-[4'-(Ethoxycarbonyl)phenyl]-2-[(1''-hydroxycarbonyl)ethylthiomethyl]-4(3H)-quinazolin-4-one
Wiley ID	748618