2-[[5-[bis(fluoranyl)methylsulfanylmethyl]furan-2-yl]carbonylamino]-2-cyclopropyl-propanoic acid

Systemtic Name: 2-[[5-[bis(fluoranyl)methylsulfanylmethyl]furan-2-yl]carbonylamino]-2-cyclopropyl-propanoic acid Openeye Name: 2-cyclopropyl-2-[[5-(difluoromethylsulfanylmethyl)furan-2-carbonyl]amino]propanoic acid CAS Name: 2-cyclopropyl-2-[[[5-[(difluoromethylthio)methyl]-2-furanyl]-oxomethyl]amino]propanoic acid IUPAC Name: 2-cyclopropyl-2-[[5-(difluoromethylsulfanylmethyl)furan-2-carbonyl]amino]propanoic acid Traditional Name: 2-cyclopropyl-2-[[5-[(difluoromethylthio)methyl]-2-furoyl]amino]propionic acid Formula: C13H15F2NO4S MolecularWeight: 319.324306

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CC1)(C(=O)O)NC(=O)C2=CC=C(O2)CSC(F)F

Isomeric SMILES

CC(C1CC1)(C(=O)O)NC(=O)C2=CC=C(O2)CSC(F)F

InChI

InChI=1S/C13H15F2NO4S/c1-13(11(18)19,7-2-3-7)16-10(17)9-5-4-8(20-9)6-21-12(14)15/h4-5,7,12H,2-3,6H2,1H3,(H,16,17)(H,18,19)