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

Systemtic Name: diethyl 2-(3-methylsulfanyl-3-oxidanylidene-1-phenyl-propyl)propanedioate Openeye Name: diethyl 2-(3-methylsulfanyl-3-oxo-1-phenyl-propyl)propanedioate CAS Name: 2-[3-(methylthio)-3-oxo-1-phenylpropyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-(3-methylsulfanyl-3-oxo-1-phenylpropyl)propanedioate Traditional Name: 2-[3-keto-3-(methylthio)-1-phenyl-propyl]malonic acid diethyl ester Formula: C17H22O5S MolecularWeight: 338.41858

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(CC(=O)SC)C1=CC=CC=C1)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(C(CC(=O)SC)C1=CC=CC=C1)C(=O)OCC

InChI

InChI=1S/C17H22O5S/c1-4-21-16(19)15(17(20)22-5-2)13(11-14(18)23-3)12-9-7-6-8-10-12/h6-10,13,15H,4-5,11H2,1-3H3