3-(3-methylsulfanylpropanoyl)-5-phenethyl-oxolane-2,4-dione

Systemtic Name: 3-(3-methylsulfanylpropanoyl)-5-phenethyl-oxolane-2,4-dione Openeye Name: 3-(3-methylsulfanylpropanoyl)-5-phenethyl-tetrahydrofuran-2,4-dione CAS Name: 3-[3-(methylthio)-1-oxopropyl]-5-phenethyloxolane-2,4-dione IUPAC Name: 3-(3-methylsulfanylpropanoyl)-5-phenethyloxolane-2,4-dione Traditional Name: 3-[3-(methylthio)propanoyl]-5-phenethyl-tetrahydrofuran-2,4-quinone Formula: C16H18O4S MolecularWeight: 306.37672

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(=O)C1C(=O)C(OC1=O)CCC2=CC=CC=C2

Isomeric SMILES

CSCCC(=O)C1C(=O)C(OC1=O)CCC2=CC=CC=C2

InChI

InChI=1S/C16H18O4S/c1-21-10-9-12(17)14-15(18)13(20-16(14)19)8-7-11-5-3-2-4-6-11/h2-6,13-14H,7-10H2,1H3