propan-2-yl 2-(2-chloranyl-4-fluoranyl-5-isothiocyanato-phenyl)sulfanylpropanoate

Systemtic Name: propan-2-yl 2-(2-chloranyl-4-fluoranyl-5-isothiocyanato-phenyl)sulfanylpropanoate Openeye Name: isopropyl 2-(2-chloro-4-fluoro-5-isothiocyanato-phenyl)sulfanylpropanoate CAS Name: 2-[(2-chloro-4-fluoro-5-isothiocyanatophenyl)thio]propanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-(2-chloro-4-fluoro-5-isothiocyanatophenyl)sulfanylpropanoate Traditional Name: 2-[(2-chloro-4-fluoro-5-isothiocyanato-phenyl)thio]propionic acid isopropyl ester Formula: C13H13ClFNO2S2 MolecularWeight: 333.829223

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C(C)SC1=C(C=C(C(=C1)N=C=S)F)Cl

Isomeric SMILES

CC(C)OC(=O)C(C)SC1=C(C=C(C(=C1)N=C=S)F)Cl

InChI

InChI=1S/C13H13ClFNO2S2/c1-7(2)18-13(17)8(3)20-12-5-11(16-6-19)10(15)4-9(12)14/h4-5,7-8H,1-3H3