3-[(2-fluorophenyl)sulfanylmethyl]-1-benzofuran-2-carboxylate

Systemtic Name: 3-[(2-fluorophenyl)sulfanylmethyl]-1-benzofuran-2-carboxylate Openeye Name: 3-[(2-fluorophenyl)sulfanylmethyl]benzofuran-2-carboxylate CAS Name: 3-[[(2-fluorophenyl)thio]methyl]-2-benzofurancarboxylate IUPAC Name: 3-[(2-fluorophenyl)sulfanylmethyl]-1-benzofuran-2-carboxylate Traditional Name: 3-[[(2-fluorophenyl)thio]methyl]coumarilate Formula: C16H10FO3S- MolecularWeight: 301.312203

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(O2)C(=O)[O-])CSC3=CC=CC=C3F

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(O2)C(=O)[O-])CSC3=CC=CC=C3F

InChI

InChI=1S/C16H11FO3S/c17-12-6-2-4-8-14(12)21-9-11-10-5-1-3-7-13(10)20-15(11)16(18)19/h1-8H,9H2,(H,18,19)/p-1