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1H-Pyrazole-1-acetic acid, 3-[[(3-chloro-1-benzothiophen-2-yl)carbonyl]amino]-, ethyl ester
SpectraBase Compound ID E21g9Sh7FpI
InChI InChI=1S/C16H14ClN3O3S/c1-2-23-13(21)9-20-8-7-12(19-20)18-16(22)15-14(17)10-5-3-4-6-11(10)24-15/h3-8H,2,9H2,1H3,(H,18,19,22)
InChIKey NXBOBXAFPLYBAJ-UHFFFAOYSA-N
Mol Weight 363.82 g/mol
Molecular Formula C16H14ClN3O3S
Exact Mass 363.04444 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B3MoiOPgJ60
Name 1H-Pyrazole-1-acetic acid, 3-[[(3-chloro-1-benzothiophen-2-yl)carbonyl]amino]-, ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H14ClN3O3S
InChI InChI=1S/C16H14ClN3O3S/c1-2-23-13(21)9-20-8-7-12(19-20)18-16(22)15-14(17)10-5-3-4-6-11(10)24-15/h3-8H,2,9H2,1H3,(H,18,19,22)
InChIKey NXBOBXAFPLYBAJ-UHFFFAOYSA-N
Molecular Weight 363.819 g/mol
SMILES N(C(=O)c1sc2ccccc2c1Cl)c1cc[n](n1)CC(OCC)=O
SPLASH splash10-0002-3912000000-6022e64c987fb2dc4676
Source of Spectrum IY-2-4856-9
Synonyms 2-[3-[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]amino]-1-pyrazolyl]acetic acid ethyl ester Ethyl 2-[3-[(3-chloro-1-benzothiophene-2-carbonyl)amino]pyrazol-1-yl]acetate Ethyl 2-[3-[(3-chlorobenzothiophene-2-carbonyl)amino]pyrazol-1-yl]acetate Ethyl 2-[3-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]pyrazol-1-yl]ethanoate
Wiley ID 1656792