acetic acid, [[2,4-dinitro-6-[(phenylmethyl)thio]benzoyl]amino]-,methyl ester

SpectraBase Compound ID	GyYBPtKYYZS
InChI	InChI=1S/C17H15N3O7S/c1-27-15(21)9-18-17(22)16-13(20(25)26)7-12(19(23)24)8-14(16)28-10-11-5-3-2-4-6-11/h2-8H,9-10H2,1H3,(H,18,22)
InChIKey	MOGDMFFFHPGUKE-UHFFFAOYSA-N Google Search
Mol Weight	405.38 g/mol
Molecular Formula	C17H15N3O7S
Exact Mass	405.063071 g/mol

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SpectraBase Spectrum ID	JSfTEkVLJwg
Name	2-[[2-(benzylthio)-4,6-dinitro-benzoyl]amino]acetic acid methyl ester
Alternate Name(s)	2-[[[2,4-dinitro-6-(phenylmethylthio)phenyl]-oxomethyl]amino]acetic acid methyl ester Methyl 2-[(2-benzylsulfanyl-4,6-dinitro-benzoyl)amino]acetate Methyl 2-[[2,4-dinitro-6-(phenylmethylsulfanyl)phenyl]carbonylamino]ethanoate
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C17H15N3O7S
InChI	InChI=1S/C17H15N3O7S/c1-27-15(21)9-18-17(22)16-13(20(25)26)7-12(19(23)24)8-14(16)28-10-11-5-3-2-4-6-11/h2-8H,9-10H2,1H3,(H,18,22)
InChIKey	MOGDMFFFHPGUKE-UHFFFAOYSA-N
Molecular Weight	405.381 g/mol
SMILES	N(C(c1c(N(=O)=O)cc(N(=O)=O)cc1SCc1ccccc1)=O)CC(=O)OC
SPLASH	splash10-0006-9200000000-597128173b10173d5317
Wiley ID	1455110