cyclopentyl 2-(2-bromanyl-4-fluoranyl-5-isothiocyanato-phenyl)sulfanylethanoate

Systemtic Name: cyclopentyl 2-(2-bromanyl-4-fluoranyl-5-isothiocyanato-phenyl)sulfanylethanoate Openeye Name: cyclopentyl 2-(2-bromo-4-fluoro-5-isothiocyanato-phenyl)sulfanylacetate CAS Name: 2-[(2-bromo-4-fluoro-5-isothiocyanatophenyl)thio]acetic acid cyclopentyl ester IUPAC Name: cyclopentyl 2-(2-bromo-4-fluoro-5-isothiocyanatophenyl)sulfanylacetate Traditional Name: 2-[(2-bromo-4-fluoro-5-isothiocyanato-phenyl)thio]acetic acid cyclopentyl ester Formula: C14H13BrFNO2S2 MolecularWeight: 390.290923

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)OC(=O)CSC2=C(C=C(C(=C2)N=C=S)F)Br

Isomeric SMILES

C1CCC(C1)OC(=O)CSC2=C(C=C(C(=C2)N=C=S)F)Br

InChI

InChI=1S/C14H13BrFNO2S2/c15-10-5-11(16)12(17-8-20)6-13(10)21-7-14(18)19-9-3-1-2-4-9/h5-6,9H,1-4,7H2