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

Systemtic Name: 2-[[5-[bis(fluoranyl)methylsulfanylmethyl]furan-2-yl]methylamino]benzoic acid Openeye Name: 2-[[5-(difluoromethylsulfanylmethyl)-2-furyl]methylamino]benzoic acid CAS Name: 2-[[5-[(difluoromethylthio)methyl]-2-furanyl]methylamino]benzoic acid IUPAC Name: 2-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]benzoic acid Traditional Name: 2-[[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=C(C(=C1)C(=O)O)NCC2=CC=C(O2)CSC(F)F

Isomeric SMILES

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

InChI

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