propyl 2-(2-chloranyl-4-fluoranyl-5-isothiocyanato-phenyl)sulfanylethanoate

Systemtic Name: propyl 2-(2-chloranyl-4-fluoranyl-5-isothiocyanato-phenyl)sulfanylethanoate Openeye Name: propyl 2-(2-chloro-4-fluoro-5-isothiocyanato-phenyl)sulfanylacetate CAS Name: 2-[(2-chloro-4-fluoro-5-isothiocyanatophenyl)thio]acetic acid propyl ester IUPAC Name: propyl 2-(2-chloro-4-fluoro-5-isothiocyanatophenyl)sulfanylacetate Traditional Name: 2-[(2-chloro-4-fluoro-5-isothiocyanato-phenyl)thio]acetic acid propyl ester Formula: C12H11ClFNO2S2 MolecularWeight: 319.802643

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)CSC1=C(C=C(C(=C1)N=C=S)F)Cl

Isomeric SMILES

CCCOC(=O)CSC1=C(C=C(C(=C1)N=C=S)F)Cl

InChI

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