3-[(3,5-dimethoxyphenyl)methyl]-5-(4-methylsulfonyl-3-pyrrol-1-yl-thiophen-2-yl)-1,3,4-oxadiazol-2-one

Systemtic Name: 3-[(3,5-dimethoxyphenyl)methyl]-5-(4-methylsulfonyl-3-pyrrol-1-yl-thiophen-2-yl)-1,3,4-oxadiazol-2-one Openeye Name: 3-[(3,5-dimethoxyphenyl)methyl]-5-(4-methylsulfonyl-3-pyrrol-1-yl-2-thienyl)-1,3,4-oxadiazol-2-one CAS Name: 3-[(3,5-dimethoxyphenyl)methyl]-5-[4-methylsulfonyl-3-(1-pyrrolyl)-2-thiophenyl]-1,3,4-oxadiazol-2-one IUPAC Name: 3-[(3,5-dimethoxyphenyl)methyl]-5-(4-methylsulfonyl-3-pyrrol-1-ylthiophen-2-yl)-1,3,4-oxadiazol-2-one Traditional Name: 3-(3,5-dimethoxybenzyl)-5-(4-mesyl-3-pyrrol-1-yl-2-thienyl)-1,3,4-oxadiazol-2-one Formula: C20H19N3O6S2 MolecularWeight: 461.51136

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)CN2C(=O)OC(=N2)C3=C(C(=CS3)S(=O)(=O)C)N4C=CC=C4)OC

Isomeric SMILES

COC1=CC(=CC(=C1)CN2C(=O)OC(=N2)C3=C(C(=CS3)S(=O)(=O)C)N4C=CC=C4)OC

InChI

InChI=1S/C20H19N3O6S2/c1-27-14-8-13(9-15(10-14)28-2)11-23-20(24)29-19(21-23)18-17(22-6-4-5-7-22)16(12-30-18)31(3,25)26/h4-10,12H,11H2,1-3H3