[2'-(Methoxycarbonyl)ethyl](p-nitrobenzoyl)carbamodithioate

SpectraBase Compound ID	5PvRSnGAUeI
InChI	InChI=1S/C12H12N2O5S2/c1-19-10(15)6-7-21-12(20)13-11(16)8-2-4-9(5-3-8)14(17)18/h2-5H,6-7H2,1H3,(H,13,16,20)
InChIKey	XAJRYMMCAJQVHA-UHFFFAOYSA-N Google Search
Mol Weight	328.36 g/mol
Molecular Formula	C12H12N2O5S2
Exact Mass	328.018764 g/mol

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SpectraBase Spectrum ID	8Qko724rgIK
Name	[2'-(Methoxycarbonyl)ethyl](p-nitrobenzoyl)carbamodithioate
Alternate Name(s)	3-[[[[(4-nitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]thio]propanoic acid methyl ester Methyl 3-[(4-nitrobenzoyl)carbamothioylsulfanyl]propanoate Methyl 3-[(4-nitrophenyl)carbonylcarbamothioylsulfanyl]propanoate
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C12H12N2O5S2
InChI	InChI=1S/C12H12N2O5S2/c1-19-10(15)6-7-21-12(20)13-11(16)8-2-4-9(5-3-8)14(17)18/h2-5H,6-7H2,1H3,(H,13,16,20)
InChIKey	XAJRYMMCAJQVHA-UHFFFAOYSA-N
Molecular Weight	328.357 g/mol
SMILES	N(C(c1ccc(N(=O)=O)cc1)=O)C(=S)SCCC(=O)OC
SPLASH	splash10-1000-2960000000-38f10648608a4766c0ba
Source of Spectrum	AH-140-1202-3j
Wiley ID	1702316