3-[[5-[bis(fluoranyl)methylsulfanylmethyl]furan-2-yl]methylamino]azepan-2-one

Systemtic Name: 3-[[5-[bis(fluoranyl)methylsulfanylmethyl]furan-2-yl]methylamino]azepan-2-one Openeye Name: 3-[[5-(difluoromethylsulfanylmethyl)-2-furyl]methylamino]azepan-2-one CAS Name: 3-[[5-[(difluoromethylthio)methyl]-2-furanyl]methylamino]-2-azepanone IUPAC Name: 3-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]azepan-2-one Traditional Name: 3-[[5-[(difluoromethylthio)methyl]-2-furyl]methylamino]azepan-2-one Formula: C13H18F2N2O2S MolecularWeight: 304.356026

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)NCC2=CC=C(O2)CSC(F)F

Isomeric SMILES

C1CCNC(=O)C(C1)NCC2=CC=C(O2)CSC(F)F

InChI

InChI=1S/C13H18F2N2O2S/c14-13(15)20-8-10-5-4-9(19-10)7-17-11-3-1-2-6-16-12(11)18/h4-5,11,13,17H,1-3,6-8H2,(H,16,18)