(4-bromanyl-2-fluoranyl-phenyl)methyl 2-methoxy-4-methylsulfanyl-benzoate

Systemtic Name: (4-bromanyl-2-fluoranyl-phenyl)methyl 2-methoxy-4-methylsulfanyl-benzoate Openeye Name: (4-bromo-2-fluoro-phenyl)methyl 2-methoxy-4-methylsulfanyl-benzoate CAS Name: 2-methoxy-4-(methylthio)benzoic acid (4-bromo-2-fluorophenyl)methyl ester IUPAC Name: (4-bromo-2-fluorophenyl)methyl 2-methoxy-4-methylsulfanylbenzoate Traditional Name: 2-methoxy-4-(methylthio)benzoic acid (4-bromo-2-fluoro-benzyl) ester Formula: C16H14BrFO3S MolecularWeight: 385.247963

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)SC)C(=O)OCC2=C(C=C(C=C2)Br)F

Isomeric SMILES

COC1=C(C=CC(=C1)SC)C(=O)OCC2=C(C=C(C=C2)Br)F

InChI

InChI=1S/C16H14BrFO3S/c1-20-15-8-12(22-2)5-6-13(15)16(19)21-9-10-3-4-11(17)7-14(10)18/h3-8H,9H2,1-2H3