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Ethyl 2-([(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino)-1,3-benzothiazole-6-carboxylate
SpectraBase Compound ID ReQKIKTeQg
InChI InChI=1S/C14H13N5O3S2/c1-2-22-12(21)8-3-4-9-10(5-8)24-14(17-9)18-11(20)6-23-13-15-7-16-19-13/h3-5,7H,2,6H2,1H3,(H,15,16,19)(H,17,18,20)
InChIKey VWNDWOOTFYWQBO-UHFFFAOYSA-N
Mol Weight 363.41 g/mol
Molecular Formula C14H13N5O3S2
Exact Mass 363.045982 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8iqHmuZGlGt
Name Ethyl 2-([(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino)-1,3-benzothiazole-6-carboxylate
CAS Registry Number 341492-95-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H13N5O3S2
InChI InChI=1S/C14H13N5O3S2/c1-2-22-12(21)8-3-4-9-10(5-8)24-14(17-9)18-11(20)6-23-13-15-7-16-19-13/h3-5,7H,2,6H2,1H3,(H,15,16,19)(H,17,18,20)
InChIKey VWNDWOOTFYWQBO-UHFFFAOYSA-N
Molecular Weight 363.410 g/mol
SMILES N(c1nc2ccc(C(=O)OCC)cc2s1)C(CSc1ncn[nH]1)=O
SPLASH splash10-00bc-7920000000-70cbdceda7f4a3991ee6
Source of Spectrum AD-0-2532-0
Synonyms 2-[[1-oxo-2-(1H-1,2,4-triazol-5-ylthio)ethyl]amino]-1,3-benzothiazole-6-carboxylic acid ethyl ester 2-[[2-(1H-1,2,4-triazol-5-ylthio)acetyl]amino]-1,3-benzothiazole-6-carboxylic acid ethyl ester Benzothiazole-6-carboxylic acid, 2-[(1,2,4-triazol-5-yl)thioacetamido]-, ethyl ester Ethyl 2-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanoylamino]-1,3-benzothiazole-6-carboxylate Ethyl 2-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]-1,3-benzothiazole-6-carboxylate
Wiley ID 1419757