ethyl 2-(2-chloranyl-4-fluoranyl-5-isothiocyanato-phenyl)sulfanylpropanoate

Systemtic Name: ethyl 2-(2-chloranyl-4-fluoranyl-5-isothiocyanato-phenyl)sulfanylpropanoate Openeye Name: ethyl 2-(2-chloro-4-fluoro-5-isothiocyanato-phenyl)sulfanylpropanoate CAS Name: 2-[(2-chloro-4-fluoro-5-isothiocyanatophenyl)thio]propanoic acid ethyl ester IUPAC Name: ethyl 2-(2-chloro-4-fluoro-5-isothiocyanatophenyl)sulfanylpropanoate Traditional Name: 2-[(2-chloro-4-fluoro-5-isothiocyanato-phenyl)thio]propionic acid ethyl ester Formula: C12H11ClFNO2S2 MolecularWeight: 319.802643

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)SC1=C(C=C(C(=C1)N=C=S)F)Cl

Isomeric SMILES

CCOC(=O)C(C)SC1=C(C=C(C(=C1)N=C=S)F)Cl

InChI

InChI=1S/C12H11ClFNO2S2/c1-3-17-12(16)7(2)19-11-5-10(15-6-18)9(14)4-8(11)13/h4-5,7H,3H2,1-2H3