5-(2-methylsulfanylpropyl)-3-(2-phenylpropanoyl)oxolane-2,4-dione

Systemtic Name: 5-(2-methylsulfanylpropyl)-3-(2-phenylpropanoyl)oxolane-2,4-dione Openeye Name: 5-(2-methylsulfanylpropyl)-3-(2-phenylpropanoyl)tetrahydrofuran-2,4-dione CAS Name: 5-[2-(methylthio)propyl]-3-(1-oxo-2-phenylpropyl)oxolane-2,4-dione IUPAC Name: 5-(2-methylsulfanylpropyl)-3-(2-phenylpropanoyl)oxolane-2,4-dione Traditional Name: 3-hydratropoyl-5-[2-(methylthio)propyl]tetrahydrofuran-2,4-quinone Formula: C17H20O4S MolecularWeight: 320.4033

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1C(=O)C(C(=O)O1)C(=O)C(C)C2=CC=CC=C2)SC

Isomeric SMILES

CC(CC1C(=O)C(C(=O)O1)C(=O)C(C)C2=CC=CC=C2)SC

InChI

InChI=1S/C17H20O4S/c1-10(22-3)9-13-16(19)14(17(20)21-13)15(18)11(2)12-7-5-4-6-8-12/h4-8,10-11,13-14H,9H2,1-3H3