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

Systemtic Name: (4-phenylmethoxyphenyl) 3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carboxylate Openeye Name: (4-benzyloxyphenyl) 3-(cyclohexylsulfanylmethyl)benzofuran-2-carboxylate CAS Name: 3-[(cyclohexylthio)methyl]-2-benzofurancarboxylic acid (4-phenylmethoxyphenyl) ester IUPAC Name: (4-phenylmethoxyphenyl) 3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carboxylate Traditional Name: 3-[(cyclohexylthio)methyl]coumarilic acid (4-benzoxyphenyl) ester Formula: C29H28O4S MolecularWeight: 472.59522

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)SCC2=C(OC3=CC=CC=C32)C(=O)OC4=CC=C(C=C4)OCC5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)SCC2=C(OC3=CC=CC=C32)C(=O)OC4=CC=C(C=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C29H28O4S/c30-29(32-23-17-15-22(16-18-23)31-19-21-9-3-1-4-10-21)28-26(20-34-24-11-5-2-6-12-24)25-13-7-8-14-27(25)33-28/h1,3-4,7-10,13-18,24H,2,5-6,11-12,19-20H2