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

Systemtic Name: 3-[3-(2,5-dimethoxyphenyl)-3-oxidanylidene-propyl]-5-(4-methylsulfonyl-3-pyrrol-1-yl-thiophen-2-yl)-1,3,4-oxadiazol-2-one Openeye Name: 3-[3-(2,5-dimethoxyphenyl)-3-oxo-propyl]-5-(4-methylsulfonyl-3-pyrrol-1-yl-2-thienyl)-1,3,4-oxadiazol-2-one CAS Name: 3-[3-(2,5-dimethoxyphenyl)-3-oxopropyl]-5-[4-methylsulfonyl-3-(1-pyrrolyl)-2-thiophenyl]-1,3,4-oxadiazol-2-one IUPAC Name: 3-[3-(2,5-dimethoxyphenyl)-3-oxopropyl]-5-(4-methylsulfonyl-3-pyrrol-1-ylthiophen-2-yl)-1,3,4-oxadiazol-2-one Traditional Name: 3-[3-(2,5-dimethoxyphenyl)-3-keto-propyl]-5-(4-mesyl-3-pyrrol-1-yl-2-thienyl)-1,3,4-oxadiazol-2-one Formula: C22H21N3O7S2 MolecularWeight: 503.54804

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C(=O)CCN2C(=O)OC(=N2)C3=C(C(=CS3)S(=O)(=O)C)N4C=CC=C4

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C(=O)CCN2C(=O)OC(=N2)C3=C(C(=CS3)S(=O)(=O)C)N4C=CC=C4

InChI

InChI=1S/C22H21N3O7S2/c1-30-14-6-7-17(31-2)15(12-14)16(26)8-11-25-22(27)32-21(23-25)20-19(24-9-4-5-10-24)18(13-33-20)34(3,28)29/h4-7,9-10,12-13H,8,11H2,1-3H3