methyl 6-[4-(4-cyanophenyl)-2-methylsulfanyl-phenoxy]hexanoate

Systemtic Name: methyl 6-[4-(4-cyanophenyl)-2-methylsulfanyl-phenoxy]hexanoate Openeye Name: methyl 6-[4-(4-cyanophenyl)-2-methylsulfanyl-phenoxy]hexanoate CAS Name: 6-[4-(4-cyanophenyl)-2-(methylthio)phenoxy]hexanoic acid methyl ester IUPAC Name: methyl 6-[4-(4-cyanophenyl)-2-methylsulfanylphenoxy]hexanoate Traditional Name: 6-[4-(4-cyanophenyl)-2-(methylthio)phenoxy]hexanoic acid methyl ester Formula: C21H23NO3S MolecularWeight: 369.47722

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCOC1=C(C=C(C=C1)C2=CC=C(C=C2)C#N)SC

Isomeric SMILES

COC(=O)CCCCCOC1=C(C=C(C=C1)C2=CC=C(C=C2)C#N)SC

InChI

InChI=1S/C21H23NO3S/c1-24-21(23)6-4-3-5-13-25-19-12-11-18(14-20(19)26-2)17-9-7-16(15-22)8-10-17/h7-12,14H,3-6,13H2,1-2H3