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

Systemtic Name: ethyl 2-(2,4-dimethylphenyl)-3-[1-[(4-methoxyphenyl)methylsulfanyl]-4-oxidanylidene-cyclohexyl]-3-oxidanylidene-propanoate Openeye Name: ethyl 2-(2,4-dimethylphenyl)-3-[1-[(4-methoxyphenyl)methylsulfanyl]-4-oxo-cyclohexyl]-3-oxo-propanoate CAS Name: 2-(2,4-dimethylphenyl)-3-[1-[(4-methoxyphenyl)methylthio]-4-oxocyclohexyl]-3-oxopropanoic acid ethyl ester IUPAC Name: ethyl 2-(2,4-dimethylphenyl)-3-[1-[(4-methoxyphenyl)methylsulfanyl]-4-oxocyclohexyl]-3-oxopropanoate Traditional Name: 2-(2,4-dimethylphenyl)-3-keto-3-[4-keto-1-(p-anisylthio)cyclohexyl]propionic acid ethyl ester Formula: C27H32O5S MolecularWeight: 468.60498

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=C(C=C(C=C1)C)C)C(=O)C2(CCC(=O)CC2)SCC3=CC=C(C=C3)OC

Isomeric SMILES

CCOC(=O)C(C1=C(C=C(C=C1)C)C)C(=O)C2(CCC(=O)CC2)SCC3=CC=C(C=C3)OC

InChI

InChI=1S/C27H32O5S/c1-5-32-26(30)24(23-11-6-18(2)16-19(23)3)25(29)27(14-12-21(28)13-15-27)33-17-20-7-9-22(31-4)10-8-20/h6-11,16,24H,5,12-15,17H2,1-4H3