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

Systemtic Name: methyl 2-(2,4-dimethylphenyl)-3-[1-[(4-methoxyphenyl)methylsulfanyl]cyclohexyl]-3-oxidanylidene-propanoate Openeye Name: methyl 2-(2,4-dimethylphenyl)-3-[1-[(4-methoxyphenyl)methylsulfanyl]cyclohexyl]-3-oxo-propanoate CAS Name: 2-(2,4-dimethylphenyl)-3-[1-[(4-methoxyphenyl)methylthio]cyclohexyl]-3-oxopropanoic acid methyl ester IUPAC Name: methyl 2-(2,4-dimethylphenyl)-3-[1-[(4-methoxyphenyl)methylsulfanyl]cyclohexyl]-3-oxopropanoate Traditional Name: 2-(2,4-dimethylphenyl)-3-keto-3-[1-(p-anisylthio)cyclohexyl]propionic acid methyl ester Formula: C26H32O4S MolecularWeight: 440.59488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C(=O)C2(CCCCC2)SCC3=CC=C(C=C3)OC)C(=O)OC)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(C(=O)C2(CCCCC2)SCC3=CC=C(C=C3)OC)C(=O)OC)C

InChI

InChI=1S/C26H32O4S/c1-18-8-13-22(19(2)16-18)23(25(28)30-4)24(27)26(14-6-5-7-15-26)31-17-20-9-11-21(29-3)12-10-20/h8-13,16,23H,5-7,14-15,17H2,1-4H3