[2-(2,4-dimethoxyphenyl)-2-oxidanylidene-ethyl] 3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carboxylate

Systemtic Name: [2-(2,4-dimethoxyphenyl)-2-oxidanylidene-ethyl] 3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carboxylate Openeye Name: [2-(2,4-dimethoxyphenyl)-2-oxo-ethyl] 3-(cyclohexylsulfanylmethyl)benzofuran-2-carboxylate CAS Name: 3-[(cyclohexylthio)methyl]-2-benzofurancarboxylic acid [2-(2,4-dimethoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carboxylate Traditional Name: 3-[(cyclohexylthio)methyl]coumarilic acid [2-(2,4-dimethoxyphenyl)-2-keto-ethyl] ester Formula: C26H28O6S MolecularWeight: 468.56192

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(=O)COC(=O)C2=C(C3=CC=CC=C3O2)CSC4CCCCC4)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C(=O)COC(=O)C2=C(C3=CC=CC=C3O2)CSC4CCCCC4)OC

InChI

InChI=1S/C26H28O6S/c1-29-17-12-13-20(24(14-17)30-2)22(27)15-31-26(28)25-21(16-33-18-8-4-3-5-9-18)19-10-6-7-11-23(19)32-25/h6-7,10-14,18H,3-5,8-9,15-16H2,1-2H3