3-(2,5-dichlorophenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propanoic acid

SpectraBase Compound ID	BPI5CcxEa8q
InChI	InChI=1S/C17H14Cl2N2O2S/c1-9-2-5-13-14(6-9)21-17(20-13)24-15(16(22)23)8-10-7-11(18)3-4-12(10)19/h2-7,15H,8H2,1H3,(H,20,21)(H,22,23)
InChIKey	GPIXLZMBKNGRSR-UHFFFAOYSA-N Google Search
Mol Weight	381.28 g/mol
Molecular Formula	C17H14Cl2N2O2S
Exact Mass	380.015304 g/mol

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SpectraBase Spectrum ID	F6poAsFGAY4
Name	3-(2,5-dichlorophenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propanoic acid
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C17H14Cl2N2O2S
InChI	InChI=1S/C17H14Cl2N2O2S/c1-9-2-5-13-14(6-9)21-17(20-13)24-15(16(22)23)8-10-7-11(18)3-4-12(10)19/h2-7,15H,8H2,1H3,(H,20,21)(H,22,23)
InChIKey	GPIXLZMBKNGRSR-UHFFFAOYSA-N
Molecular Weight	381.277 g/mol
SMILES	[nH]1c2ccc(cc2nc1SC(C(=O)O)Cc1c(ccc(c1)Cl)Cl)C
SPLASH	splash10-03di-4913000000-4455209a3045fa5490c9
Synonyms	3-(2,5-dichlorophenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)thio]propanoic acid 3-(2,5-dichlorophenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)thio]propionic acid 3-[2,5-bis(chloranyl)phenyl]-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propanoic acid
Wiley ID	1443270