(4-bromanyl-2-fluoranyl-phenyl)methyl 2-[2-(dimethylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: (4-bromanyl-2-fluoranyl-phenyl)methyl 2-[2-(dimethylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: (4-bromo-2-fluoro-phenyl)methyl 2-[2-(dimethylamino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(dimethylamino)-2-oxoethyl]thio]benzoic acid (4-bromo-2-fluorophenyl)methyl ester IUPAC Name: (4-bromo-2-fluorophenyl)methyl 2-[2-(dimethylamino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-(dimethylamino)-2-keto-ethyl]thio]benzoic acid (4-bromo-2-fluoro-benzyl) ester Formula: C18H17BrFNO3S MolecularWeight: 426.299883

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)CSC1=CC=CC=C1C(=O)OCC2=C(C=C(C=C2)Br)F

Isomeric SMILES

CN(C)C(=O)CSC1=CC=CC=C1C(=O)OCC2=C(C=C(C=C2)Br)F

InChI

InChI=1S/C18H17BrFNO3S/c1-21(2)17(22)11-25-16-6-4-3-5-14(16)18(23)24-10-12-7-8-13(19)9-15(12)20/h3-9H,10-11H2,1-2H3