diethyl 2-(3-oxidanylidene-1-phenyl-3-phenylsulfanyl-propyl)propanedioate

Systemtic Name: diethyl 2-(3-oxidanylidene-1-phenyl-3-phenylsulfanyl-propyl)propanedioate Openeye Name: diethyl 2-(3-oxo-1-phenyl-3-phenylsulfanyl-propyl)propanedioate CAS Name: 2-[3-oxo-1-phenyl-3-(phenylthio)propyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-(3-oxo-1-phenyl-3-phenylsulfanylpropyl)propanedioate Traditional Name: 2-[3-keto-1-phenyl-3-(phenylthio)propyl]malonic acid diethyl ester Formula: C22H24O5S MolecularWeight: 400.48796

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24O5S/c1-3-26-21(24)20(22(25)27-4-2)18(16-11-7-5-8-12-16)15-19(23)28-17-13-9-6-10-14-17/h5-14,18,20H,3-4,15H2,1-2H3