5-(phenylmethyl)-3-(3-phenylpropanoyl)thiolane-2,4-dione

Systemtic Name: 5-(phenylmethyl)-3-(3-phenylpropanoyl)thiolane-2,4-dione Openeye Name: 5-benzyl-3-(3-phenylpropanoyl)tetrahydrothiophene-2,4-dione CAS Name: 3-(1-oxo-3-phenylpropyl)-5-(phenylmethyl)thiolane-2,4-dione IUPAC Name: 5-benzyl-3-(3-phenylpropanoyl)thiolane-2,4-dione Traditional Name: 5-benzyl-3-hydrocinnamoyl-tetrahydrothiophene-2,4-quinone Formula: C20H18O3S MolecularWeight: 338.42012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(=O)C2C(=O)C(SC2=O)CC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CCC(=O)C2C(=O)C(SC2=O)CC3=CC=CC=C3

InChI

InChI=1S/C20H18O3S/c21-16(12-11-14-7-3-1-4-8-14)18-19(22)17(24-20(18)23)13-15-9-5-2-6-10-15/h1-10,17-18H,11-13H2