ethyl 6-[(2-chloranyl-4-fluoranyl-phenyl)methylsulfanyl]cyclohexene-1-carboxylate

Systemtic Name: ethyl 6-[(2-chloranyl-4-fluoranyl-phenyl)methylsulfanyl]cyclohexene-1-carboxylate Openeye Name: ethyl 6-[(2-chloro-4-fluoro-phenyl)methylsulfanyl]cyclohexene-1-carboxylate CAS Name: 6-[(2-chloro-4-fluorophenyl)methylthio]-1-cyclohexenecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[(2-chloro-4-fluorophenyl)methylsulfanyl]cyclohexene-1-carboxylate Traditional Name: 6-[(2-chloro-4-fluoro-benzyl)thio]cyclohexene-1-carboxylic acid ethyl ester Formula: C16H18ClFO2S MolecularWeight: 328.829323

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CCCCC1SCC2=C(C=C(C=C2)F)Cl

Isomeric SMILES

CCOC(=O)C1=CCCCC1SCC2=C(C=C(C=C2)F)Cl

InChI

InChI=1S/C16H18ClFO2S/c1-2-20-16(19)13-5-3-4-6-15(13)21-10-11-7-8-12(18)9-14(11)17/h5,7-9,15H,2-4,6,10H2,1H3