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

Systemtic Name: (2-bromanyl-4-fluoranyl-phenyl)methyl 2-[2-(2-methoxyethylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: (2-bromo-4-fluoro-phenyl)methyl 2-[2-(2-methoxyethylamino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(2-methoxyethylamino)-2-oxoethyl]thio]benzoic acid (2-bromo-4-fluorophenyl)methyl ester IUPAC Name: (2-bromo-4-fluorophenyl)methyl 2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-keto-2-(2-methoxyethylamino)ethyl]thio]benzoic acid (2-bromo-4-fluoro-benzyl) ester Formula: C19H19BrFNO4S MolecularWeight: 456.325863

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19BrFNO4S/c1-25-9-8-22-18(23)12-27-17-5-3-2-4-15(17)19(24)26-11-13-6-7-14(21)10-16(13)20/h2-7,10H,8-9,11-12H2,1H3,(H,22,23)