ethyl 2-(2-bromanyl-4-fluoranyl-5-isocyanato-phenyl)sulfanylpropanoate

Systemtic Name: ethyl 2-(2-bromanyl-4-fluoranyl-5-isocyanato-phenyl)sulfanylpropanoate Openeye Name: ethyl 2-(2-bromo-4-fluoro-5-isocyanato-phenyl)sulfanylpropanoate CAS Name: 2-[(2-bromo-4-fluoro-5-isocyanatophenyl)thio]propanoic acid ethyl ester IUPAC Name: ethyl 2-(2-bromo-4-fluoro-5-isocyanatophenyl)sulfanylpropanoate Traditional Name: 2-[(2-bromo-4-fluoro-5-isocyanato-phenyl)thio]propionic acid ethyl ester Formula: C12H11BrFNO3S MolecularWeight: 348.188043

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)SC1=C(C=C(C(=C1)N=C=O)F)Br

Isomeric SMILES

CCOC(=O)C(C)SC1=C(C=C(C(=C1)N=C=O)F)Br

InChI

InChI=1S/C12H11BrFNO3S/c1-3-18-12(17)7(2)19-11-5-10(15-6-16)9(14)4-8(11)13/h4-5,7H,3H2,1-2H3