methyl 3-(4-iodophenyl)-8-thiabicyclo[3.2.1]oct-3-ene-4-carboxylate

Systemtic Name: methyl 3-(4-iodophenyl)-8-thiabicyclo[3.2.1]oct-3-ene-4-carboxylate Openeye Name: methyl 3-(4-iodophenyl)-8-thiabicyclo[3.2.1]oct-3-ene-4-carboxylate CAS Name: 3-(4-iodophenyl)-8-thiabicyclo[3.2.1]oct-3-ene-4-carboxylic acid methyl ester IUPAC Name: methyl 3-(4-iodophenyl)-8-thiabicyclo[3.2.1]oct-3-ene-4-carboxylate Traditional Name: 3-(4-iodophenyl)-8-thiabicyclo[3.2.1]oct-3-ene-4-carboxylic acid methyl ester Formula: C15H15IO2S MolecularWeight: 386.24787

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(CC2CCC1S2)C3=CC=C(C=C3)I

Isomeric SMILES

COC(=O)C1=C(CC2CCC1S2)C3=CC=C(C=C3)I

InChI

InChI=1S/C15H15IO2S/c1-18-15(17)14-12(8-11-6-7-13(14)19-11)9-2-4-10(16)5-3-9/h2-5,11,13H,6-8H2,1H3