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1H-Pyrazole-1-butanoic acid, 3-[[(3-chloro-1-benzothiophen-2-yl)carbonyl]amino]-5-methyl-, methyl ester
SpectraBase Compound ID FutFOzMVp8k
InChI InChI=1S/C18H18ClN3O3S/c1-11-10-14(21-22(11)9-5-8-15(23)25-2)20-18(24)17-16(19)12-6-3-4-7-13(12)26-17/h3-4,6-7,10H,5,8-9H2,1-2H3,(H,20,21,24)
InChIKey WZVFQRWUSGPDNO-UHFFFAOYSA-N
Mol Weight 391.87 g/mol
Molecular Formula C18H18ClN3O3S
Exact Mass 391.07574 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Azo7Rm3fAi8
Name 1H-Pyrazole-1-butanoic acid, 3-[[(3-chloro-1-benzothiophen-2-yl)carbonyl]amino]-5-methyl-, methyl ester
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Formula C18H18ClN3O3S
InChI InChI=1S/C18H18ClN3O3S/c1-11-10-14(21-22(11)9-5-8-15(23)25-2)20-18(24)17-16(19)12-6-3-4-7-13(12)26-17/h3-4,6-7,10H,5,8-9H2,1-2H3,(H,20,21,24)
InChIKey WZVFQRWUSGPDNO-UHFFFAOYSA-N
Molecular Weight 391.873 g/mol
SMILES N(C(=O)c1sc2ccccc2c1Cl)c1cc([n](n1)CCCC(OC)=O)C
SPLASH splash10-0udj-3900000000-a1fa95f166d13ceac1a0
Source of Spectrum IY-2-5067-4
Synonyms Methyl 4-[3-(3-chloro-1-benzothiophene-2-amido)-5-methyl-1H-pyrazol-1-yl]butanoate 4-[3-[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]amino]-5-methyl-1-pyrazolyl]butanoic acid methyl ester Methyl 4-[3-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-5-methylpyrazol-1-yl]butanoate Methyl 4-[3-[(3-chlorobenzothiophene-2-carbonyl)amino]-5-methyl-pyrazol-1-yl]butanoate Methyl 4-[3-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]-5-methyl-pyrazol-1-yl]butanoate
Wiley ID 1658657