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

Systemtic Name: 3-[2-(2,5-dimethoxyphenyl)-2-oxidanylidene-ethyl]-5-(4-methylsulfonyl-3-pyrrol-1-yl-thiophen-2-yl)-1,3,4-oxadiazol-2-one Openeye Name: 3-[2-(2,5-dimethoxyphenyl)-2-oxo-ethyl]-5-(4-methylsulfonyl-3-pyrrol-1-yl-2-thienyl)-1,3,4-oxadiazol-2-one CAS Name: 3-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]-5-[4-methylsulfonyl-3-(1-pyrrolyl)-2-thiophenyl]-1,3,4-oxadiazol-2-one IUPAC Name: 3-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]-5-(4-methylsulfonyl-3-pyrrol-1-ylthiophen-2-yl)-1,3,4-oxadiazol-2-one Traditional Name: 3-[2-(2,5-dimethoxyphenyl)-2-keto-ethyl]-5-(4-mesyl-3-pyrrol-1-yl-2-thienyl)-1,3,4-oxadiazol-2-one Formula: C21H19N3O7S2 MolecularWeight: 489.52146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N3O7S2/c1-29-13-6-7-16(30-2)14(10-13)15(25)11-24-21(26)31-20(22-24)19-18(23-8-4-5-9-23)17(12-32-19)33(3,27)28/h4-10,12H,11H2,1-3H3