3,5-Dimethyl-8-(2-morpholin-4-yl-5-nitro-phenyl)-4-sulfanylidene-7-oxa-3,5-diazabicyclo[4.2.0]oct-1(6)-en-2-one

SpectraBase Compound ID	C1mScWs2sA5
InChI	InChI=1S/C17H18N4O5S/c1-18-15(22)13-14(26-16(13)19(2)17(18)27)11-9-10(21(23)24)3-4-12(11)20-5-7-25-8-6-20/h3-4,9,14H,5-8H2,1-2H3
InChIKey	JDMHXGIWTIIOOL-UHFFFAOYSA-N Google Search
Mol Weight	390.41 g/mol
Molecular Formula	C17H18N4O5S
Exact Mass	390.099791 g/mol

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SpectraBase Spectrum ID	DWSVD9OLo0o
Name	3,5-Dimethyl-8-(2-morpholin-4-yl-5-nitro-phenyl)-4-sulfanylidene-7-oxa-3,5-diazabicyclo[4.2.0]oct-1(6)-en-2-one
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C17H18N4O5S
InChI	InChI=1S/C17H18N4O5S/c1-18-15(22)13-14(26-16(13)19(2)17(18)27)11-9-10(21(23)24)3-4-12(11)20-5-7-25-8-6-20/h3-4,9,14H,5-8H2,1-2H3
InChIKey	JDMHXGIWTIIOOL-UHFFFAOYSA-N
Molecular Weight	390.414 g/mol
SMILES	C12=C(N(C)C(N(C2=O)C)=S)OC1c1c(N2CCOCC2)ccc(N(=O)=O)c1
SPLASH	splash10-0100-4921000000-15059e43ba2bec393286
Synonyms	3,5-Dimethyl-8-(2-morpholino-5-nitro-phenyl)-4-thioxo-7-oxa-3,5-diazabicyclo[4.2.0]oct-1(6)-en-2-one 3,5-Dimethyl-8-[2-(4-morpholinyl)-5-nitrophenyl]-4-sulfanylidene-7-oxa-3,5-diazabicyclo[4.2.0]oct-1(6)-en-2-one
Wiley ID	1453639