2-Phenyl-5-(ethoxycarbonyl)-7-[(4-methoxyphenyl)amino]thiadiazaolo[4,5-d][1,3]diazepine

SpectraBase Compound ID	EeL6mX2zyYW
InChI	InChI=1S/C22H20N4O3S/c1-3-29-21(27)17-13-18-19(25-20(30-18)14-7-5-4-6-8-14)26-22(24-17)23-15-9-11-16(28-2)12-10-15/h4-13H,3H2,1-2H3,(H2,23,24,26)
InChIKey	UBZCKHXWDYSQKM-UHFFFAOYSA-N Google Search
Mol Weight	420.49 g/mol
Molecular Formula	C22H20N4O3S
Exact Mass	420.125612 g/mol

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SpectraBase Spectrum ID	3STpz58HPhs
Name	2-Phenyl-5-(ethoxycarbonyl)-7-[(4-methoxyphenyl)amino]thiadiazaolo[4,5-d][1,3]diazepine
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C22H20N4O3S
InChI	InChI=1S/C22H20N4O3S/c1-3-29-21(27)17-13-18-19(25-20(30-18)14-7-5-4-6-8-14)26-22(24-17)23-15-9-11-16(28-2)12-10-15/h4-13H,3H2,1-2H3,(H2,23,24,26)
InChIKey	UBZCKHXWDYSQKM-UHFFFAOYSA-N
Molecular Weight	420.487 g/mol
SMILES	N1C(=Cc2sc(nc2N=C1Nc1ccc(cc1)OC)-c1ccccc1)C(=O)OCC
SPLASH	splash10-00di-0011900000-d792ce8a589adf027e26
Source of Spectrum	J-58-5268-10
Synonyms	2-Phenyl-5-(ethoxycarbonyl)-7-[(4-methoxyphenyl)-amino]-thiazaolo[4,5-d][1,3]diazepine
Wiley ID	1377894