methyl 2-[5-(2-azanylidene-2-chloranyl-ethyl)-2-chloranyl-4-fluoranyl-phenyl]sulfanylpropanoate

Systemtic Name: methyl 2-[5-(2-azanylidene-2-chloranyl-ethyl)-2-chloranyl-4-fluoranyl-phenyl]sulfanylpropanoate Openeye Name: methyl 2-[2-chloro-5-(2-chloro-2-imino-ethyl)-4-fluoro-phenyl]sulfanylpropanoate CAS Name: 2-[[2-chloro-5-(2-chloro-2-iminoethyl)-4-fluorophenyl]thio]propanoic acid methyl ester IUPAC Name: methyl 2-[2-chloro-5-(2-chloro-2-iminoethyl)-4-fluorophenyl]sulfanylpropanoate Traditional Name: 2-[[2-chloro-5-(2-chloro-2-imino-ethyl)-4-fluoro-phenyl]thio]propionic acid methyl ester Formula: C12H12Cl2FNO2S MolecularWeight: 324.198583

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12Cl2FNO2S/c1-6(12(17)18-2)19-10-3-7(4-11(14)16)9(15)5-8(10)13/h3,5-6,16H,4H2,1-2H3