[2-oxidanylidene-2-(2,4,5-trimethylphenyl)ethyl] 3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-(2,4,5-trimethylphenyl)ethyl] 3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carboxylate Openeye Name: [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 3-(cyclohexylsulfanylmethyl)benzofuran-2-carboxylate CAS Name: 3-[(cyclohexylthio)methyl]-2-benzofurancarboxylic acid [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carboxylate Traditional Name: 3-[(cyclohexylthio)methyl]coumarilic acid [2-keto-2-(2,4,5-trimethylphenyl)ethyl] ester Formula: C27H30O4S MolecularWeight: 450.5897

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)COC(=O)C2=C(C3=CC=CC=C3O2)CSC4CCCCC4)C)C

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)COC(=O)C2=C(C3=CC=CC=C3O2)CSC4CCCCC4)C)C

InChI

InChI=1S/C27H30O4S/c1-17-13-19(3)22(14-18(17)2)24(28)15-30-27(29)26-23(16-32-20-9-5-4-6-10-20)21-11-7-8-12-25(21)31-26/h7-8,11-14,20H,4-6,9-10,15-16H2,1-3H3