2-[[5-[bis(fluoranyl)methylsulfanylmethyl]furan-2-yl]carbonylamino]-3-methyl-pentanoic acid

Systemtic Name: 2-[[5-[bis(fluoranyl)methylsulfanylmethyl]furan-2-yl]carbonylamino]-3-methyl-pentanoic acid Openeye Name: 2-[[5-(difluoromethylsulfanylmethyl)furan-2-carbonyl]amino]-3-methyl-pentanoic acid CAS Name: 2-[[[5-[(difluoromethylthio)methyl]-2-furanyl]-oxomethyl]amino]-3-methylpentanoic acid IUPAC Name: 2-[[5-(difluoromethylsulfanylmethyl)furan-2-carbonyl]amino]-3-methylpentanoic acid Traditional Name: 2-[[5-[(difluoromethylthio)methyl]-2-furoyl]amino]-3-methyl-valeric acid Formula: C13H17F2NO4S MolecularWeight: 321.340186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)O)NC(=O)C1=CC=C(O1)CSC(F)F

Isomeric SMILES

CCC(C)C(C(=O)O)NC(=O)C1=CC=C(O1)CSC(F)F

InChI

InChI=1S/C13H17F2NO4S/c1-3-7(2)10(12(18)19)16-11(17)9-5-4-8(20-9)6-21-13(14)15/h4-5,7,10,13H,3,6H2,1-2H3,(H,16,17)(H,18,19)