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

Systemtic Name: pentyl 2-(2-chloranyl-4-fluoranyl-5-isothiocyanato-phenyl)sulfanylpropanoate Openeye Name: pentyl 2-(2-chloro-4-fluoro-5-isothiocyanato-phenyl)sulfanylpropanoate CAS Name: 2-[(2-chloro-4-fluoro-5-isothiocyanatophenyl)thio]propanoic acid pentyl ester IUPAC Name: pentyl 2-(2-chloro-4-fluoro-5-isothiocyanatophenyl)sulfanylpropanoate Traditional Name: 2-[(2-chloro-4-fluoro-5-isothiocyanato-phenyl)thio]propionic acid amyl ester Formula: C15H17ClFNO2S2 MolecularWeight: 361.882383

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17ClFNO2S2/c1-3-4-5-6-20-15(19)10(2)22-14-8-13(18-9-21)12(17)7-11(14)16/h7-8,10H,3-6H2,1-2H3