ethyl 2-[4-[(4-chlorophenyl)methylsulfanyl]phenoxy]-2-methyl-pentanoate

Systemtic Name: ethyl 2-[4-[(4-chlorophenyl)methylsulfanyl]phenoxy]-2-methyl-pentanoate Openeye Name: ethyl 2-[4-[(4-chlorophenyl)methylsulfanyl]phenoxy]-2-methyl-pentanoate CAS Name: 2-[4-[(4-chlorophenyl)methylthio]phenoxy]-2-methylpentanoic acid ethyl ester IUPAC Name: ethyl 2-[4-[(4-chlorophenyl)methylsulfanyl]phenoxy]-2-methylpentanoate Traditional Name: 2-[4-[(4-chlorobenzyl)thio]phenoxy]-2-methyl-valeric acid ethyl ester Formula: C21H25ClO3S MolecularWeight: 392.9394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)(C(=O)OCC)OC1=CC=C(C=C1)SCC2=CC=C(C=C2)Cl

Isomeric SMILES

CCCC(C)(C(=O)OCC)OC1=CC=C(C=C1)SCC2=CC=C(C=C2)Cl

InChI

InChI=1S/C21H25ClO3S/c1-4-14-21(3,20(23)24-5-2)25-18-10-12-19(13-11-18)26-15-16-6-8-17(22)9-7-16/h6-13H,4-5,14-15H2,1-3H3