4-[2-(1,3-benzodioxol-5-yl)-1,3-dithian-2-yl]-3-(phenylmethyl)oxolan-2-one

Systemtic Name: 4-[2-(1,3-benzodioxol-5-yl)-1,3-dithian-2-yl]-3-(phenylmethyl)oxolan-2-one Openeye Name: 4-[2-(1,3-benzodioxol-5-yl)-1,3-dithian-2-yl]-3-benzyl-tetrahydrofuran-2-one CAS Name: 4-[2-(1,3-benzodioxol-5-yl)-1,3-dithian-2-yl]-3-(phenylmethyl)-2-oxolanone IUPAC Name: 4-[2-(1,3-benzodioxol-5-yl)-1,3-dithian-2-yl]-3-benzyloxolan-2-one Traditional Name: 4-[2-(1,3-benzodioxol-5-yl)-1,3-dithian-2-yl]-3-benzyl-tetrahydrofuran-2-one Formula: C22H22O4S2 MolecularWeight: 414.53768

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CSC(SC1)(C2COC(=O)C2CC3=CC=CC=C3)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CSC(SC1)(C2COC(=O)C2CC3=CC=CC=C3)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H22O4S2/c23-21-17(11-15-5-2-1-3-6-15)18(13-24-21)22(27-9-4-10-28-22)16-7-8-19-20(12-16)26-14-25-19/h1-3,5-8,12,17-18H,4,9-11,13-14H2