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

Systemtic Name: 5-(2-methylsulfanylpropyl)-3-(3-phenylpropanoyl)oxolane-2,4-dione Openeye Name: 5-(2-methylsulfanylpropyl)-3-(3-phenylpropanoyl)tetrahydrofuran-2,4-dione CAS Name: 5-[2-(methylthio)propyl]-3-(1-oxo-3-phenylpropyl)oxolane-2,4-dione IUPAC Name: 5-(2-methylsulfanylpropyl)-3-(3-phenylpropanoyl)oxolane-2,4-dione Traditional Name: 3-hydrocinnamoyl-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)CCC2=CC=CC=C2)SC

Isomeric SMILES

CC(CC1C(=O)C(C(=O)O1)C(=O)CCC2=CC=CC=C2)SC

InChI

InChI=1S/C17H20O4S/c1-11(22-2)10-14-16(19)15(17(20)21-14)13(18)9-8-12-6-4-3-5-7-12/h3-7,11,14-15H,8-10H2,1-2H3