dimethyl 3-phenyl-5-(phenylmethylsulfanyl)benzene-1,2-dicarboxylate

Systemtic Name: dimethyl 3-phenyl-5-(phenylmethylsulfanyl)benzene-1,2-dicarboxylate Openeye Name: dimethyl 5-benzylsulfanyl-3-phenyl-benzene-1,2-dicarboxylate CAS Name: 3-phenyl-5-(phenylmethylthio)benzene-1,2-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-benzylsulfanyl-3-phenylbenzene-1,2-dicarboxylate Traditional Name: 5-(benzylthio)-3-phenyl-benzene-1,2-dicarboxylic acid dimethyl ester Formula: C23H20O4S MolecularWeight: 392.4675

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=CC(=C1)SCC2=CC=CC=C2)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

COC(=O)C1=C(C(=CC(=C1)SCC2=CC=CC=C2)C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C23H20O4S/c1-26-22(24)20-14-18(28-15-16-9-5-3-6-10-16)13-19(21(20)23(25)27-2)17-11-7-4-8-12-17/h3-14H,15H2,1-2H3