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1H-Pyrazole-1-acetic acid, 4-[[(3-chloro-1-benzothiophen-2-yl)carbonyl]amino]-3,5-dimethyl-, ethyl ester
SpectraBase Compound ID 37jzEoCMRNj
InChI InChI=1S/C18H18ClN3O3S/c1-4-25-14(23)9-22-11(3)16(10(2)21-22)20-18(24)17-15(19)12-7-5-6-8-13(12)26-17/h5-8H,4,9H2,1-3H3,(H,20,24)
InChIKey OZGVNEWPOYEMQM-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 AI3Ry2feIVg
Name 1H-Pyrazole-1-acetic acid, 4-[[(3-chloro-1-benzothiophen-2-yl)carbonyl]amino]-3,5-dimethyl-, ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H18ClN3O3S
InChI InChI=1S/C18H18ClN3O3S/c1-4-25-14(23)9-22-11(3)16(10(2)21-22)20-18(24)17-15(19)12-7-5-6-8-13(12)26-17/h5-8H,4,9H2,1-3H3,(H,20,24)
InChIKey OZGVNEWPOYEMQM-UHFFFAOYSA-N
Molecular Weight 391.873 g/mol
SMILES N(c1c([n](CC(=O)OCC)nc1C)C)C(c1sc2ccccc2c1Cl)=O
SPLASH splash10-0002-4902000000-d4355693d40e9093c4a0
Synonyms 2-[4-[(3-chlorobenzothiophene-2-carbonyl)amino]-3,5-dimethyl-pyrazol-1-yl]acetic acid ethyl ester 2-[4-[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]amino]-3,5-dimethyl-1-pyrazolyl]acetic acid ethyl ester Ethyl 2-[4-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]-3,5-dimethyl-pyrazol-1-yl]ethanoate Ethyl 2-[4-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-3,5-dimethylpyrazol-1-yl]acetate Ethyl 2-[4-[(3-chlorobenzothiophene-2-carbonyl)amino]-3,5-dimethyl-pyrazol-1-yl]acetate
Wiley ID 1448594