2-[2-[4-(2-methylpropyl)phenyl]propanoylsulfanyl]ethyl 5-methyl-4-oxidanylidene-5-phenyl-furan-2-carboxylate

Systemtic Name: 2-[2-[4-(2-methylpropyl)phenyl]propanoylsulfanyl]ethyl 5-methyl-4-oxidanylidene-5-phenyl-furan-2-carboxylate Openeye Name: 2-[2-(4-isobutylphenyl)propanoylsulfanyl]ethyl 5-methyl-4-oxo-5-phenyl-furan-2-carboxylate CAS Name: 5-methyl-4-oxo-5-phenyl-2-furancarboxylic acid 2-[[2-[4-(2-methylpropyl)phenyl]-1-oxopropyl]thio]ethyl ester IUPAC Name: 2-[2-[4-(2-methylpropyl)phenyl]propanoylsulfanyl]ethyl 5-methyl-4-oxo-5-phenylfuran-2-carboxylate Traditional Name: 4-keto-5-methyl-5-phenyl-furan-2-carboxylic acid 2-[2-(4-isobutylphenyl)propanoylthio]ethyl ester Formula: C27H30O5S MolecularWeight: 466.5891

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C(C)C(=O)SCCOC(=O)C2=CC(=O)C(O2)(C)C3=CC=CC=C3

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)C(C)C(=O)SCCOC(=O)C2=CC(=O)C(O2)(C)C3=CC=CC=C3

InChI

InChI=1S/C27H30O5S/c1-18(2)16-20-10-12-21(13-11-20)19(3)26(30)33-15-14-31-25(29)23-17-24(28)27(4,32-23)22-8-6-5-7-9-22/h5-13,17-19H,14-16H2,1-4H3