2-[[4-[bis(fluoranyl)methylsulfanyl]phenyl]carbamoyl]-2-ethyl-butanoic acid

Systemtic Name: 2-[[4-[bis(fluoranyl)methylsulfanyl]phenyl]carbamoyl]-2-ethyl-butanoic acid Openeye Name: 2-[[4-(difluoromethylsulfanyl)phenyl]carbamoyl]-2-ethyl-butanoic acid CAS Name: 2-[[4-(difluoromethylthio)anilino]-oxomethyl]-2-ethylbutanoic acid IUPAC Name: 2-[[4-(difluoromethylsulfanyl)phenyl]carbamoyl]-2-ethylbutanoic acid Traditional Name: 2-[[4-(difluoromethylthio)phenyl]carbamoyl]-2-ethyl-butyric acid Formula: C14H17F2NO3S MolecularWeight: 317.351486

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C(=O)NC1=CC=C(C=C1)SC(F)F)C(=O)O

Isomeric SMILES

CCC(CC)(C(=O)NC1=CC=C(C=C1)SC(F)F)C(=O)O

InChI

InChI=1S/C14H17F2NO3S/c1-3-14(4-2,12(19)20)11(18)17-9-5-7-10(8-6-9)21-13(15)16/h5-8,13H,3-4H2,1-2H3,(H,17,18)(H,19,20)