diethyl 2-[3-(4-methylphenyl)sulfanyl-3-oxidanylidene-1-phenyl-propyl]propanedioate

Systemtic Name: diethyl 2-[3-(4-methylphenyl)sulfanyl-3-oxidanylidene-1-phenyl-propyl]propanedioate Openeye Name: diethyl 2-[3-oxo-1-phenyl-3-(p-tolylsulfanyl)propyl]propanedioate CAS Name: 2-[3-[(4-methylphenyl)thio]-3-oxo-1-phenylpropyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[3-(4-methylphenyl)sulfanyl-3-oxo-1-phenylpropyl]propanedioate Traditional Name: 2-[3-keto-1-phenyl-3-(p-tolylthio)propyl]malonic acid diethyl ester Formula: C23H26O5S MolecularWeight: 414.51454

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(CC(=O)SC1=CC=C(C=C1)C)C2=CC=CC=C2)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(C(CC(=O)SC1=CC=C(C=C1)C)C2=CC=CC=C2)C(=O)OCC

InChI

InChI=1S/C23H26O5S/c1-4-27-22(25)21(23(26)28-5-2)19(17-9-7-6-8-10-17)15-20(24)29-18-13-11-16(3)12-14-18/h6-14,19,21H,4-5,15H2,1-3H3