(6-bromanyl-1,3-benzodioxol-5-yl)methyl 2-(2-fluorophenyl)sulfanylethanoate

Systemtic Name: (6-bromanyl-1,3-benzodioxol-5-yl)methyl 2-(2-fluorophenyl)sulfanylethanoate Openeye Name: (6-bromo-1,3-benzodioxol-5-yl)methyl 2-(2-fluorophenyl)sulfanylacetate CAS Name: 2-[(2-fluorophenyl)thio]acetic acid (6-bromo-1,3-benzodioxol-5-yl)methyl ester IUPAC Name: (6-bromo-1,3-benzodioxol-5-yl)methyl 2-(2-fluorophenyl)sulfanylacetate Traditional Name: 2-[(2-fluorophenyl)thio]acetic acid (6-bromo-1,3-benzodioxol-5-yl)methyl ester Formula: C16H12BrFO4S MolecularWeight: 399.231483

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)COC(=O)CSC3=CC=CC=C3F)Br

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)COC(=O)CSC3=CC=CC=C3F)Br

InChI

InChI=1S/C16H12BrFO4S/c17-11-6-14-13(21-9-22-14)5-10(11)7-20-16(19)8-23-15-4-2-1-3-12(15)18/h1-6H,7-9H2