5,6-DI-(4-METHOXYPHENYL)-1,3-DIAZETO-[1',2'-A]-THIAZOLO-[4,5-D]-[1,3]-DIAZEPINE

SpectraBase Compound ID	3aSiooHAh29
InChI	InChI=1S/C30H25N5O4S/c1-4-39-28(36)24-18-25-26(32-27(40-25)19-8-6-5-7-9-19)33-30-34(21-12-16-23(38-3)17-13-21)29(35(24)30)31-20-10-14-22(37-2)15-11-20/h5-18H,4H2,1-3H3/b31-29+
InChIKey	PKXGFVDBPHTLMF-OWWNRXNESA-N Google Search
Mol Weight	551.62 g/mol
Molecular Formula	C30H25N5O4S
Exact Mass	551.162725 g/mol

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SpectraBase Spectrum ID	GScKqQEiMP
Name	5-(Ethoxycarbonyl)-2-phenyl-7[(4-methoxyphenyl)imino]-8-(4-methoxyphenyl)-1,3diazeto[1',2'-a]thiazolo[4,5-d][1,3]diazaepine
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C30H25N5O4S
InChI	InChI=1S/C30H25N5O4S/c1-4-39-28(36)24-18-25-26(32-27(40-25)19-8-6-5-7-9-19)33-30-34(21-12-16-23(38-3)17-13-21)29(35(24)30)31-20-10-14-22(37-2)15-11-20/h5-18H,4H2,1-3H3/b31-29+
InChIKey	PKXGFVDBPHTLMF-OWWNRXNESA-N
Molecular Weight	551.621 g/mol
SMILES	C1=2N(C(=Cc3sc(nc3N2)-c2ccccc2)C(=O)OCC)\C(N1c1ccc(cc1)OC)=N\c1ccc(cc1)OC
SPLASH	splash10-000i-0090000000-b929be53d12f764abe68
Source of Spectrum	J-58-5269-11
Synonyms	Ethyl (6E)-5-(4-methoxyphenyl)-6-[(4-methoxyphenyl)imino]-2-phenyl-5,6-dihydro[1,3]diazeto[1,2-a][1,3]thiazolo[4,5-d][1,3]diazepine-8-carboxylate
Wiley ID	1405849