methyl 3-(2-chloroethyl)-6-(4-chlorophenyl)sulfanyl-4-methyl-2-phenyl-benzoate

Systemtic Name: methyl 3-(2-chloroethyl)-6-(4-chlorophenyl)sulfanyl-4-methyl-2-phenyl-benzoate Openeye Name: methyl 3-(2-chloroethyl)-6-(4-chlorophenyl)sulfanyl-4-methyl-2-phenyl-benzoate CAS Name: 3-(2-chloroethyl)-6-[(4-chlorophenyl)thio]-4-methyl-2-phenylbenzoic acid methyl ester IUPAC Name: methyl 3-(2-chloroethyl)-6-(4-chlorophenyl)sulfanyl-4-methyl-2-phenylbenzoate Traditional Name: 3-(2-chloroethyl)-6-[(4-chlorophenyl)thio]-4-methyl-2-phenyl-benzoic acid methyl ester Formula: C23H20Cl2O2S MolecularWeight: 431.3747

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1CCCl)C2=CC=CC=C2)C(=O)OC)SC3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=CC(=C(C(=C1CCCl)C2=CC=CC=C2)C(=O)OC)SC3=CC=C(C=C3)Cl

InChI

InChI=1S/C23H20Cl2O2S/c1-15-14-20(28-18-10-8-17(25)9-11-18)22(23(26)27-2)21(19(15)12-13-24)16-6-4-3-5-7-16/h3-11,14H,12-13H2,1-2H3