dimethyl 3-(phenylcarbonyl)-5-phenylsulfanyl-benzene-1,2-dicarboxylate

Systemtic Name: dimethyl 3-(phenylcarbonyl)-5-phenylsulfanyl-benzene-1,2-dicarboxylate Openeye Name: dimethyl 3-benzoyl-5-phenylsulfanyl-benzene-1,2-dicarboxylate CAS Name: 3-benzoyl-5-(phenylthio)benzene-1,2-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 3-benzoyl-5-phenylsulfanylbenzene-1,2-dicarboxylate Traditional Name: 3-benzoyl-5-(phenylthio)benzene-1,2-dicarboxylic acid dimethyl ester Formula: C23H18O5S MolecularWeight: 406.45102

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=CC(=C1)SC2=CC=CC=C2)C(=O)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

COC(=O)C1=C(C(=CC(=C1)SC2=CC=CC=C2)C(=O)C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C23H18O5S/c1-27-22(25)19-14-17(29-16-11-7-4-8-12-16)13-18(20(19)23(26)28-2)21(24)15-9-5-3-6-10-15/h3-14H,1-2H3