(4-methoxycarbonylphenyl) 3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carboxylate

Systemtic Name: (4-methoxycarbonylphenyl) 3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carboxylate Openeye Name: (4-methoxycarbonylphenyl) 3-(cyclohexylsulfanylmethyl)benzofuran-2-carboxylate CAS Name: 3-[(cyclohexylthio)methyl]-2-benzofurancarboxylic acid (4-methoxycarbonylphenyl) ester IUPAC Name: (4-methoxycarbonylphenyl) 3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carboxylate Traditional Name: 3-[(cyclohexylthio)methyl]coumarilic acid (4-carbomethoxyphenyl) ester Formula: C24H24O5S MolecularWeight: 424.50936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)OC(=O)C2=C(C3=CC=CC=C3O2)CSC4CCCCC4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)OC(=O)C2=C(C3=CC=CC=C3O2)CSC4CCCCC4

InChI

InChI=1S/C24H24O5S/c1-27-23(25)16-11-13-17(14-12-16)28-24(26)22-20(15-30-18-7-3-2-4-8-18)19-9-5-6-10-21(19)29-22/h5-6,9-14,18H,2-4,7-8,15H2,1H3