5-[(2-fluorophenyl)methylsulfanylmethyl]furan-2-carboxylate

Systemtic Name: 5-[(2-fluorophenyl)methylsulfanylmethyl]furan-2-carboxylate Openeye Name: 5-[(2-fluorophenyl)methylsulfanylmethyl]furan-2-carboxylate CAS Name: 5-[[(2-fluorophenyl)methylthio]methyl]-2-furancarboxylate IUPAC Name: 5-[(2-fluorophenyl)methylsulfanylmethyl]furan-2-carboxylate Traditional Name: 5-[[(2-fluorobenzyl)thio]methyl]-2-furoate Formula: C13H10FO3S- MolecularWeight: 265.280103

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CSCC2=CC=C(O2)C(=O)[O-])F

Isomeric SMILES

C1=CC=C(C(=C1)CSCC2=CC=C(O2)C(=O)[O-])F

InChI

InChI=1S/C13H11FO3S/c14-11-4-2-1-3-9(11)7-18-8-10-5-6-12(17-10)13(15)16/h1-6H,7-8H2,(H,15,16)/p-1