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

Systemtic Name: methyl 2-(2,4-dimethylphenyl)-3-[1-[(4-methoxyphenyl)methylsulfanyl]cyclopentyl]-3-oxidanylidene-propanoate Openeye Name: methyl 2-(2,4-dimethylphenyl)-3-[1-[(4-methoxyphenyl)methylsulfanyl]cyclopentyl]-3-oxo-propanoate CAS Name: 2-(2,4-dimethylphenyl)-3-[1-[(4-methoxyphenyl)methylthio]cyclopentyl]-3-oxopropanoic acid methyl ester IUPAC Name: methyl 2-(2,4-dimethylphenyl)-3-[1-[(4-methoxyphenyl)methylsulfanyl]cyclopentyl]-3-oxopropanoate Traditional Name: 2-(2,4-dimethylphenyl)-3-keto-3-[1-(p-anisylthio)cyclopentyl]propionic acid methyl ester Formula: C25H30O4S MolecularWeight: 426.5683

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C(=O)C2(CCCC2)SCC3=CC=C(C=C3)OC)C(=O)OC)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(C(=O)C2(CCCC2)SCC3=CC=C(C=C3)OC)C(=O)OC)C

InChI

InChI=1S/C25H30O4S/c1-17-7-12-21(18(2)15-17)22(24(27)29-4)23(26)25(13-5-6-14-25)30-16-19-8-10-20(28-3)11-9-19/h7-12,15,22H,5-6,13-14,16H2,1-4H3