6,6-dimethyl-3-methylsulfonyl-1-[5-(2-phenoxyphenyl)-1,3,4-oxadiazol-2-yl]-5,7-dihydro-2-benzothiophen-4-one

Systemtic Name: 6,6-dimethyl-3-methylsulfonyl-1-[5-(2-phenoxyphenyl)-1,3,4-oxadiazol-2-yl]-5,7-dihydro-2-benzothiophen-4-one Openeye Name: 6,6-dimethyl-3-methylsulfonyl-1-[5-(2-phenoxyphenyl)-1,3,4-oxadiazol-2-yl]-5,7-dihydro-2-benzothiophen-4-one CAS Name: 6,6-dimethyl-3-methylsulfonyl-1-[5-(2-phenoxyphenyl)-1,3,4-oxadiazol-2-yl]-5,7-dihydro-2-benzothiophen-4-one IUPAC Name: 6,6-dimethyl-3-methylsulfonyl-1-[5-(2-phenoxyphenyl)-1,3,4-oxadiazol-2-yl]-5,7-dihydro-2-benzothiophen-4-one Traditional Name: 3-mesyl-6,6-dimethyl-1-[5-(2-phenoxyphenyl)-1,3,4-oxadiazol-2-yl]-5,7-dihydroisobenzothiophen-4-one Formula: C25H22N2O5S2 MolecularWeight: 494.58258

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(SC(=C2C(=O)C1)S(=O)(=O)C)C3=NN=C(O3)C4=CC=CC=C4OC5=CC=CC=C5)C

Isomeric SMILES

CC1(CC2=C(SC(=C2C(=O)C1)S(=O)(=O)C)C3=NN=C(O3)C4=CC=CC=C4OC5=CC=CC=C5)C

InChI

InChI=1S/C25H22N2O5S2/c1-25(2)13-17-20(18(28)14-25)24(34(3,29)30)33-21(17)23-27-26-22(32-23)16-11-7-8-12-19(16)31-15-9-5-4-6-10-15/h4-12H,13-14H2,1-3H3