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

Systemtic Name: methyl 2-(2,4-dimethylphenyl)-3-[1-[(4-methoxyphenyl)methylsulfanyl]-3-methyl-cyclohexyl]-3-oxidanylidene-propanoate Openeye Name: methyl 2-(2,4-dimethylphenyl)-3-[1-[(4-methoxyphenyl)methylsulfanyl]-3-methyl-cyclohexyl]-3-oxo-propanoate CAS Name: 2-(2,4-dimethylphenyl)-3-[1-[(4-methoxyphenyl)methylthio]-3-methylcyclohexyl]-3-oxopropanoic acid methyl ester IUPAC Name: methyl 2-(2,4-dimethylphenyl)-3-[1-[(4-methoxyphenyl)methylsulfanyl]-3-methylcyclohexyl]-3-oxopropanoate Traditional Name: 2-(2,4-dimethylphenyl)-3-keto-3-[3-methyl-1-(p-anisylthio)cyclohexyl]propionic acid methyl ester Formula: C27H34O4S MolecularWeight: 454.62146

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1)(C(=O)C(C2=C(C=C(C=C2)C)C)C(=O)OC)SCC3=CC=C(C=C3)OC

Isomeric SMILES

CC1CCCC(C1)(C(=O)C(C2=C(C=C(C=C2)C)C)C(=O)OC)SCC3=CC=C(C=C3)OC

InChI

InChI=1S/C27H34O4S/c1-18-8-13-23(20(3)15-18)24(26(29)31-5)25(28)27(14-6-7-19(2)16-27)32-17-21-9-11-22(30-4)12-10-21/h8-13,15,19,24H,6-7,14,16-17H2,1-5H3