4-[[5-[bis(fluoranyl)methylsulfanylmethyl]furan-2-yl]methylamino]benzoic acid

Systemtic Name: 4-[[5-[bis(fluoranyl)methylsulfanylmethyl]furan-2-yl]methylamino]benzoic acid Openeye Name: 4-[[5-(difluoromethylsulfanylmethyl)-2-furyl]methylamino]benzoic acid CAS Name: 4-[[5-[(difluoromethylthio)methyl]-2-furanyl]methylamino]benzoic acid IUPAC Name: 4-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]benzoic acid Traditional Name: 4-[[5-[(difluoromethylthio)methyl]-2-furyl]methylamino]benzoic acid Formula: C14H13F2NO3S MolecularWeight: 313.319726

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)NCC2=CC=C(O2)CSC(F)F

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)NCC2=CC=C(O2)CSC(F)F

InChI

InChI=1S/C14H13F2NO3S/c15-14(16)21-8-12-6-5-11(20-12)7-17-10-3-1-9(2-4-10)13(18)19/h1-6,14,17H,7-8H2,(H,18,19)