Methyl 5-{[4-(1,3-dithiolan-2-yl)benzoyl]amino}-2,4-difluorobenzoate

ChemSpider ID: 22113023
Molecular Formula: C₁₈H₁₅F₂NO₃S₂
Average mass: 395.44339 Da
Monoisotopic mass: 395.046143 Da
Systematic name

Methyl 5-{[4-(1,3-dithiolan-2-yl)benzoyl]amino}-2,4-difluorobenzoate
SMILES and InChIs

SMILES:

COC(=O)c1cc(c(cc1F)F)NC(=O)c2ccc(cc2)C3SCCS3 Copied

Std. InChI:

InChI=1S/C18H15F2NO3S2/c1-24-17(23)12-8-15(14(20)9-13(12)19)21-16(22)10-2-4-11(5-3-10)18-25-6-7-26-18/h2-5,8-9,18H,6-7H2,1H3,(H,21,22) Copied

Std. InChIKey:

ACRKKUQJCLZSLR-UHFFFAOYSA-N Copied
Cite this record
CSID:22113023, http://www.chemspider.com/Chemical-Structure.22113023.html (accessed 06:00, May 25, 2012) Copied

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Predicted data is generated using the ACD/Labs’ ACD/PhysChem Suite, for more information see their website.

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