methyl 2-(3,4-dichlorophenyl)-4-(4-fluorophenyl)-6-methylsulfanyl-benzoate

Systemtic Name: methyl 2-(3,4-dichlorophenyl)-4-(4-fluorophenyl)-6-methylsulfanyl-benzoate Openeye Name: methyl 2-(3,4-dichlorophenyl)-4-(4-fluorophenyl)-6-methylsulfanyl-benzoate CAS Name: 2-(3,4-dichlorophenyl)-4-(4-fluorophenyl)-6-(methylthio)benzoic acid methyl ester IUPAC Name: methyl 2-(3,4-dichlorophenyl)-4-(4-fluorophenyl)-6-methylsulfanylbenzoate Traditional Name: 2-(3,4-dichlorophenyl)-4-(4-fluorophenyl)-6-(methylthio)benzoic acid methyl ester Formula: C21H15Cl2FO2S MolecularWeight: 421.312003

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=C(C=C1SC)C2=CC=C(C=C2)F)C3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

COC(=O)C1=C(C=C(C=C1SC)C2=CC=C(C=C2)F)C3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C21H15Cl2FO2S/c1-26-21(25)20-16(13-5-8-17(22)18(23)10-13)9-14(11-19(20)27-2)12-3-6-15(24)7-4-12/h3-11H,1-2H3