3-(1-benzofuran-2-yl)-1-[2-(dimethoxymethyl)-1-pyrrolidin-2-ylcarbonyl-3-sulfanylidene-pyrrolidin-2-yl]propan-1-one

Systemtic Name: 3-(1-benzofuran-2-yl)-1-[2-(dimethoxymethyl)-1-pyrrolidin-2-ylcarbonyl-3-sulfanylidene-pyrrolidin-2-yl]propan-1-one Openeye Name: 3-(benzofuran-2-yl)-1-[2-(dimethoxymethyl)-1-(pyrrolidine-2-carbonyl)-3-thioxo-pyrrolidin-2-yl]propan-1-one CAS Name: 3-(2-benzofuranyl)-1-[2-(dimethoxymethyl)-1-[oxo(2-pyrrolidinyl)methyl]-3-sulfanylidene-2-pyrrolidinyl]-1-propanone IUPAC Name: 3-(1-benzofuran-2-yl)-1-[2-(dimethoxymethyl)-1-(pyrrolidine-2-carbonyl)-3-sulfanylidenepyrrolidin-2-yl]propan-1-one Traditional Name: 3-(benzofuran-2-yl)-1-[2-(dimethoxymethyl)-1-prolyl-3-thioxo-pyrrolidin-2-yl]propan-1-one Formula: C23H28N2O5S MolecularWeight: 444.54382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(C1(C(=S)CCN1C(=O)C2CCCN2)C(=O)CCC3=CC4=CC=CC=C4O3)OC

Isomeric SMILES

COC(C1(C(=S)CCN1C(=O)C2CCCN2)C(=O)CCC3=CC4=CC=CC=C4O3)OC

InChI

InChI=1S/C23H28N2O5S/c1-28-22(29-2)23(20(31)11-13-25(23)21(27)17-7-5-12-24-17)19(26)10-9-16-14-15-6-3-4-8-18(15)30-16/h3-4,6,8,14,17,22,24H,5,7,9-13H2,1-2H3