methyl 4-[2-(4-chlorophenyl)phenyl]sulfanylbutanoate

Systemtic Name: methyl 4-[2-(4-chlorophenyl)phenyl]sulfanylbutanoate Openeye Name: methyl 4-[2-(4-chlorophenyl)phenyl]sulfanylbutanoate CAS Name: 4-[[2-(4-chlorophenyl)phenyl]thio]butanoic acid methyl ester IUPAC Name: methyl 4-[2-(4-chlorophenyl)phenyl]sulfanylbutanoate Traditional Name: 4-[[2-(4-chlorophenyl)phenyl]thio]butyric acid methyl ester Formula: C17H17ClO2S MolecularWeight: 320.83368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCSC1=CC=CC=C1C2=CC=C(C=C2)Cl

Isomeric SMILES

COC(=O)CCCSC1=CC=CC=C1C2=CC=C(C=C2)Cl

InChI

InChI=1S/C17H17ClO2S/c1-20-17(19)7-4-12-21-16-6-3-2-5-15(16)13-8-10-14(18)11-9-13/h2-3,5-6,8-11H,4,7,12H2,1H3