methyl 5-chloranyl-2-(3,4-dimethoxyphenyl)-2-(4-methylphenyl)sulfanyl-pentanoate

Systemtic Name: methyl 5-chloranyl-2-(3,4-dimethoxyphenyl)-2-(4-methylphenyl)sulfanyl-pentanoate Openeye Name: methyl 5-chloro-2-(3,4-dimethoxyphenyl)-2-(p-tolylsulfanyl)pentanoate CAS Name: 5-chloro-2-(3,4-dimethoxyphenyl)-2-[(4-methylphenyl)thio]pentanoic acid methyl ester IUPAC Name: methyl 5-chloro-2-(3,4-dimethoxyphenyl)-2-(4-methylphenyl)sulfanylpentanoate Traditional Name: 5-chloro-2-(3,4-dimethoxyphenyl)-2-(p-tolylthio)valeric acid methyl ester Formula: C21H25ClO4S MolecularWeight: 408.9388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC(CCCCl)(C2=CC(=C(C=C2)OC)OC)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)SC(CCCCl)(C2=CC(=C(C=C2)OC)OC)C(=O)OC

InChI

InChI=1S/C21H25ClO4S/c1-15-6-9-17(10-7-15)27-21(12-5-13-22,20(23)26-4)16-8-11-18(24-2)19(14-16)25-3/h6-11,14H,5,12-13H2,1-4H3