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Ethyl (E)-2-(N'-{[2-(methoxycarbonyl)thien-3-yl]sulfonyl}acetimidamido)-1H-benzimidazole-5-carboxylate
SpectraBase Compound ID 8pSvqMaubXE
InChI InChI=1S/C18H18N4O6S2/c1-4-28-16(23)11-5-6-12-13(9-11)21-18(20-12)19-10(2)22-30(25,26)14-7-8-29-15(14)17(24)27-3/h5-9H,4H2,1-3H3,(H2,19,20,21,22)
InChIKey QTHAVFNRADTQOI-UHFFFAOYSA-N
Mol Weight 450.48 g/mol
Molecular Formula C18H18N4O6S2
Exact Mass 450.066777 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2iJ1AKIjZiT
Name Ethyl (E)-2-(N'-{[2-(methoxycarbonyl)thien-3-yl]sulfonyl}acetimidamido)-1H-benzimidazole-5-carboxylate
Appearance Colorless crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H18N4O6S2
InChI InChI=1S/C18H18N4O6S2/c1-4-28-16(23)11-5-6-12-13(9-11)21-18(20-12)19-10(2)22-30(25,26)14-7-8-29-15(14)17(24)27-3/h5-9H,4H2,1-3H3,(H2,19,20,21,22)
InChIKey QTHAVFNRADTQOI-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-QP2010 Ultra
Ionization Type EI
Literature Reference DOI 10.24820/ark.5550190.p010.200
Molecular Weight 450.484 g/mol
SMILES [nH]1c(nc2cc(ccc12)C(OCC)=O)N\C(C)=N\S(=O)(c1c(scc1)C(OC)=O)=O
SPLASH splash10-03ds-1197000000-937473b093e0df06735f
Source of Spectrum ARK-2017-235-4j
Wiley ID 1840889