methyl 2-(2,4-dimethylphenyl)-3-[4-ethyl-1-[(4-methoxyphenyl)methylsulfanyl]cyclohexyl]-3-oxidanylidene-propanoate

Systemtic Name: methyl 2-(2,4-dimethylphenyl)-3-[4-ethyl-1-[(4-methoxyphenyl)methylsulfanyl]cyclohexyl]-3-oxidanylidene-propanoate Openeye Name: methyl 2-(2,4-dimethylphenyl)-3-[4-ethyl-1-[(4-methoxyphenyl)methylsulfanyl]cyclohexyl]-3-oxo-propanoate CAS Name: 2-(2,4-dimethylphenyl)-3-[4-ethyl-1-[(4-methoxyphenyl)methylthio]cyclohexyl]-3-oxopropanoic acid methyl ester IUPAC Name: methyl 2-(2,4-dimethylphenyl)-3-[4-ethyl-1-[(4-methoxyphenyl)methylsulfanyl]cyclohexyl]-3-oxopropanoate Traditional Name: 2-(2,4-dimethylphenyl)-3-[4-ethyl-1-(p-anisylthio)cyclohexyl]-3-keto-propionic acid methyl ester Formula: C28H36O4S MolecularWeight: 468.64804

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC(CC1)(C(=O)C(C2=C(C=C(C=C2)C)C)C(=O)OC)SCC3=CC=C(C=C3)OC

Isomeric SMILES

CCC1CCC(CC1)(C(=O)C(C2=C(C=C(C=C2)C)C)C(=O)OC)SCC3=CC=C(C=C3)OC

InChI

InChI=1S/C28H36O4S/c1-6-21-13-15-28(16-14-21,33-18-22-8-10-23(31-4)11-9-22)26(29)25(27(30)32-5)24-12-7-19(2)17-20(24)3/h7-12,17,21,25H,6,13-16,18H2,1-5H3