For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
2-[(2,4-dichlorobenzoyl)amino]-3,3,3-trifluoro-2-[(6-isopropyl-1,3-benzothiazol-2-yl)amino]propionic acid methyl ester
SpectraBase Compound ID GfTKe5rFQxm
InChI InChI=1S/C21H18Cl2F3N3O3S/c1-10(2)11-4-7-15-16(8-11)33-19(27-15)29-20(18(31)32-3,21(24,25)26)28-17(30)13-6-5-12(22)9-14(13)23/h4-10H,1-3H3,(H,27,29)(H,28,30)
InChIKey UZAPHNNWVBVROL-UHFFFAOYSA-N
Mol Weight 520.35 g/mol
Molecular Formula C21H18Cl2F3N3O3S
Exact Mass 519.039803 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 2fSSkxHnFy1
Name 2-[(2,4-dichlorobenzoyl)amino]-3,3,3-trifluoro-2-[(6-isopropyl-1,3-benzothiazol-2-yl)amino]propionic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H18Cl2F3N3O3S
InChI InChI=1S/C21H18Cl2F3N3O3S/c1-10(2)11-4-7-15-16(8-11)33-19(27-15)29-20(18(31)32-3,21(24,25)26)28-17(30)13-6-5-12(22)9-14(13)23/h4-10H,1-3H3,(H,27,29)(H,28,30)
InChIKey UZAPHNNWVBVROL-UHFFFAOYSA-N
Molecular Weight 520.354 g/mol
SMILES N(C(Nc1nc2ccc(cc2s1)C(C)C)(C(F)(F)F)C(=O)OC)C(c1c(cc(cc1)Cl)Cl)=O
SPLASH splash10-0100-1903000000-207996651d0975781a8f
Synonyms 2-[[(2,4-dichlorophenyl)-oxomethyl]amino]-3,3,3-trifluoro-2-[(6-propan-2-yl-1,3-benzothiazol-2-yl)amino]propanoic acid methyl ester Methyl 2-[(2,4-dichlorobenzoyl)amino]-3,3,3-trifluoro-2-[(6-isopropyl-1,3-benzothiazol-2-yl)amino]propanoate Methyl 2-[(2,4-dichlorobenzoyl)amino]-3,3,3-trifluoro-2-[(6-propan-2-yl-1,3-benzothiazol-2-yl)amino]propanoate Methyl 2-[(2,4-dichlorophenyl)carbonylamino]-3,3,3-tris(fluoranyl)-2-[(6-propan-2-yl-1,3-benzothiazol-2-yl)amino]propanoate
Wiley ID 1462797