methyl 7-(4-chlorophenyl)-2-(4-methylphenyl)sulfanyl-heptanoate

Systemtic Name: methyl 7-(4-chlorophenyl)-2-(4-methylphenyl)sulfanyl-heptanoate Openeye Name: methyl 7-(4-chlorophenyl)-2-(p-tolylsulfanyl)heptanoate CAS Name: 7-(4-chlorophenyl)-2-[(4-methylphenyl)thio]heptanoic acid methyl ester IUPAC Name: methyl 7-(4-chlorophenyl)-2-(4-methylphenyl)sulfanylheptanoate Traditional Name: 7-(4-chlorophenyl)-2-(p-tolylthio)enanthic acid methyl ester Formula: C21H25ClO2S MolecularWeight: 376.94

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC(CCCCCC2=CC=C(C=C2)Cl)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)SC(CCCCCC2=CC=C(C=C2)Cl)C(=O)OC

InChI

InChI=1S/C21H25ClO2S/c1-16-8-14-19(15-9-16)25-20(21(23)24-2)7-5-3-4-6-17-10-12-18(22)13-11-17/h8-15,20H,3-7H2,1-2H3