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

Systemtic Name: methyl 2-(2,4-dimethylphenyl)-3-[1-[(4-methoxyphenyl)methylsulfanyl]-4-propan-2-yl-cyclohexyl]-3-oxidanylidene-propanoate Openeye Name: methyl 2-(2,4-dimethylphenyl)-3-[4-isopropyl-1-[(4-methoxyphenyl)methylsulfanyl]cyclohexyl]-3-oxo-propanoate CAS Name: 2-(2,4-dimethylphenyl)-3-[1-[(4-methoxyphenyl)methylthio]-4-propan-2-ylcyclohexyl]-3-oxopropanoic acid methyl ester IUPAC Name: methyl 2-(2,4-dimethylphenyl)-3-[1-[(4-methoxyphenyl)methylsulfanyl]-4-propan-2-ylcyclohexyl]-3-oxopropanoate Traditional Name: 2-(2,4-dimethylphenyl)-3-[4-isopropyl-1-(p-anisylthio)cyclohexyl]-3-keto-propionic acid methyl ester Formula: C29H38O4S MolecularWeight: 482.67462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C(=O)C2(CCC(CC2)C(C)C)SCC3=CC=C(C=C3)OC)C(=O)OC)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(C(=O)C2(CCC(CC2)C(C)C)SCC3=CC=C(C=C3)OC)C(=O)OC)C

InChI

InChI=1S/C29H38O4S/c1-19(2)23-13-15-29(16-14-23,34-18-22-8-10-24(32-5)11-9-22)27(30)26(28(31)33-6)25-12-7-20(3)17-21(25)4/h7-12,17,19,23,26H,13-16,18H2,1-6H3