4-[2-(3-methylimidazol-4-yl)-1,3-dithian-2-yl]oxolan-2-one

Systemtic Name: 4-[2-(3-methylimidazol-4-yl)-1,3-dithian-2-yl]oxolan-2-one Openeye Name: 4-[2-(3-methylimidazol-4-yl)-1,3-dithian-2-yl]tetrahydrofuran-2-one CAS Name: 4-[2-(3-methyl-4-imidazolyl)-1,3-dithian-2-yl]-2-oxolanone IUPAC Name: 4-[2-(3-methylimidazol-4-yl)-1,3-dithian-2-yl]oxolan-2-one Traditional Name: 4-[2-(3-methylimidazol-4-yl)-1,3-dithian-2-yl]tetrahydrofuran-2-one Formula: C12H16N2O2S2 MolecularWeight: 284.39764

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC=C1C2(SCCCS2)C3CC(=O)OC3

Isomeric SMILES

CN1C=NC=C1C2(SCCCS2)C3CC(=O)OC3

InChI

InChI=1S/C12H16N2O2S2/c1-14-8-13-6-10(14)12(17-3-2-4-18-12)9-5-11(15)16-7-9/h6,8-9H,2-5,7H2,1H3