methyl 3-(4-chloranyl-3-fluoranyl-phenyl)-8-thiabicyclo[3.2.1]oct-3-ene-4-carboxylate

Systemtic Name: methyl 3-(4-chloranyl-3-fluoranyl-phenyl)-8-thiabicyclo[3.2.1]oct-3-ene-4-carboxylate Openeye Name: methyl 3-(4-chloro-3-fluoro-phenyl)-8-thiabicyclo[3.2.1]oct-3-ene-4-carboxylate CAS Name: 3-(4-chloro-3-fluorophenyl)-8-thiabicyclo[3.2.1]oct-3-ene-4-carboxylic acid methyl ester IUPAC Name: methyl 3-(4-chloro-3-fluorophenyl)-8-thiabicyclo[3.2.1]oct-3-ene-4-carboxylate Traditional Name: 3-(4-chloro-3-fluoro-phenyl)-8-thiabicyclo[3.2.1]oct-3-ene-4-carboxylic acid methyl ester Formula: C15H14ClFO2S MolecularWeight: 312.786863

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(CC2CCC1S2)C3=CC(=C(C=C3)Cl)F

Isomeric SMILES

COC(=O)C1=C(CC2CCC1S2)C3=CC(=C(C=C3)Cl)F

InChI

InChI=1S/C15H14ClFO2S/c1-19-15(18)14-10(7-9-3-5-13(14)20-9)8-2-4-11(16)12(17)6-8/h2,4,6,9,13H,3,5,7H2,1H3