About 5-[4-[[(3S)-7-(2,6-dimethylphenyl)-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1-oxo-1,2-thiazolidin-3-one;5-[[(3S)-3-[4-(1,3-dioxo-1,2-thiazolidin-5-yl)phenoxy]-2,3-dihydro-1-benzofuran-7-yl]oxy]pyridine-2-carbonitrile;6-[[(3S)-3-[4-(1,3-dioxo-1,2-thiazolidin-5-yl)phenoxy]-2,3-dihydro-1-benzofuran-7-yl]oxy]pyridine-3-carbonitrile;5-[4-[[(3S)-7-[[2-methyl-6-(3-methylsulfonylpropoxy)-3-pyridinyl]oxy]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1-oxo-1,2-thiazolidin-3-one;5-[4-[[(3S)-7-[[6-(3-methylsulfonylpropoxy)-3-pyridinyl]oxy]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1-oxo-1,2-thiazolidin-3-one;1-oxo-5-[4-[[(3S)-7-phenoxy-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,2-thiazolidin-3-one
5-[4-[[(3S)-7-(2,6-dimethylphenyl)-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1-oxo-1,2-thiazolidin-3-one;5-[[(3S)-3-[4-(1,3-dioxo-1,2-thiazolidin-5-yl)phenoxy]-2,3-dihydro-1-benzofuran-7-yl]oxy]pyridine-2-carbonitrile;6-[[(3S)-3-[4-(1,3-dioxo-1,2-thiazolidin-5-yl)phenoxy]-2,3-dihydro-1-benzofuran-7-yl]oxy]pyridine-3-carbonitrile;5-[4-[[(3S)-7-[[2-methyl-6-(3-methylsulfonylpropoxy)-3-pyridinyl]oxy]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1-oxo-1,2-thiazolidin-3-one;5-[4-[[(3S)-7-[[6-(3-methylsulfonylpropoxy)-3-pyridinyl]oxy]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1-oxo-1,2-thiazolidin-3-one;1-oxo-5-[4-[[(3S)-7-phenoxy-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,2-thiazolidin-3-one (PubChem CID 157313155) has the molecular formula C147H130N12O35S8
and a molecular weight of 2881.24 g/mol. Its IUPAC name is 5-[4-[[(3S)-7-(2,6-dimethylphenyl)-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1-oxo-1,2-thiazolidin-3-one;5-[[(3S)-3-[4-(1,3-dioxo-1,2-thiazolidin-5-yl)phenoxy]-2,3-dihydro-1-benzofuran-7-yl]oxy]pyridine-2-carbonitrile;6-[[(3S)-3-[4-(1,3-dioxo-1,2-thiazolidin-5-yl)phenoxy]-2,3-dihydro-1-benzofuran-7-yl]oxy]pyridine-3-carbonitrile;5-[4-[[(3S)-7-[[2-methyl-6-(3-methylsulfonylpropoxy)-3-pyridinyl]oxy]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1-oxo-1,2-thiazolidin-3-one;5-[4-[[(3S)-7-[[6-(3-methylsulfonylpropoxy)-3-pyridinyl]oxy]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1-oxo-1,2-thiazolidin-3-one;1-oxo-5-[4-[[(3S)-7-phenoxy-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,2-thiazolidin-3-one.
Frequently Asked Questions
What is the IUPAC name of 5-[4-[[(3S)-7-(2,6-dimethylphenyl)-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1-oxo-1,2-thiazolidin-3-one;5-[[(3S)-3-[4-(1,3-dioxo-1,2-thiazolidin-5-yl)phenoxy]-2,3-dihydro-1-benzofuran-7-yl]oxy]pyridine-2-carbonitrile;6-[[(3S)-3-[4-(1,3-dioxo-1,2-thiazolidin-5-yl)phenoxy]-2,3-dihydro-1-benzofuran-7-yl]oxy]pyridine-3-carbonitrile;5-[4-[[(3S)-7-[[2-methyl-6-(3-methylsulfonylpropoxy)-3-pyridinyl]oxy]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1-oxo-1,2-thiazolidin-3-one;5-[4-[[(3S)-7-[[6-(3-methylsulfonylpropoxy)-3-pyridinyl]oxy]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1-oxo-1,2-thiazolidin-3-one;1-oxo-5-[4-[[(3S)-7-phenoxy-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,2-thiazolidin-3-one?
The IUPAC name of 5-[4-[[(3S)-7-(2,6-dimethylphenyl)-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1-oxo-1,2-thiazolidin-3-one;5-[[(3S)-3-[4-(1,3-dioxo-1,2-thiazolidin-5-yl)phenoxy]-2,3-dihydro-1-benzofuran-7-yl]oxy]pyridine-2-carbonitrile;6-[[(3S)-3-[4-(1,3-dioxo-1,2-thiazolidin-5-yl)phenoxy]-2,3-dihydro-1-benzofuran-7-yl]oxy]pyridine-3-carbonitrile;5-[4-[[(3S)-7-[[2-methyl-6-(3-methylsulfonylpropoxy)-3-pyridinyl]oxy]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1-oxo-1,2-thiazolidin-3-one;5-[4-[[(3S)-7-[[6-(3-methylsulfonylpropoxy)-3-pyridinyl]oxy]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1-oxo-1,2-thiazolidin-3-one;1-oxo-5-[4-[[(3S)-7-phenoxy-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,2-thiazolidin-3-one (CID 157313155) is 5-[4-[[(3S)-7-(2,6-dimethylphenyl)-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1-oxo-1,2-thiazolidin-3-one;5-[[(3S)-3-[4-(1,3-dioxo-1,2-thiazolidin-5-yl)phenoxy]-2,3-dihydro-1-benzofuran-7-yl]oxy]pyridine-2-carbonitrile;6-[[(3S)-3-[4-(1,3-dioxo-1,2-thiazolidin-5-yl)phenoxy]-2,3-dihydro-1-benzofuran-7-yl]oxy]pyridine-3-carbonitrile;5-[4-[[(3S)-7-[[2-methyl-6-(3-methylsulfonylpropoxy)-3-pyridinyl]oxy]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1-oxo-1,2-thiazolidin-3-one;5-[4-[[(3S)-7-[[6-(3-methylsulfonylpropoxy)-3-pyridinyl]oxy]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1-oxo-1,2-thiazolidin-3-one;1-oxo-5-[4-[[(3S)-7-phenoxy-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,2-thiazolidin-3-one.
What is the SMILES notation for 5-[4-[[(3S)-7-(2,6-dimethylphenyl)-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1-oxo-1,2-thiazolidin-3-one;5-[[(3S)-3-[4-(1,3-dioxo-1,2-thiazolidin-5-yl)phenoxy]-2,3-dihydro-1-benzofuran-7-yl]oxy]pyridine-2-carbonitrile;6-[[(3S)-3-[4-(1,3-dioxo-1,2-thiazolidin-5-yl)phenoxy]-2,3-dihydro-1-benzofuran-7-yl]oxy]pyridine-3-carbonitrile;5-[4-[[(3S)-7-[[2-methyl-6-(3-methylsulfonylpropoxy)-3-pyridinyl]oxy]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1-oxo-1,2-thiazolidin-3-one;5-[4-[[(3S)-7-[[6-(3-methylsulfonylpropoxy)-3-pyridinyl]oxy]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1-oxo-1,2-thiazolidin-3-one;1-oxo-5-[4-[[(3S)-7-phenoxy-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,2-thiazolidin-3-one?
The canonical SMILES for 5-[4-[[(3S)-7-(2,6-dimethylphenyl)-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1-oxo-1,2-thiazolidin-3-one;5-[[(3S)-3-[4-(1,3-dioxo-1,2-thiazolidin-5-yl)phenoxy]-2,3-dihydro-1-benzofuran-7-yl]oxy]pyridine-2-carbonitrile;6-[[(3S)-3-[4-(1,3-dioxo-1,2-thiazolidin-5-yl)phenoxy]-2,3-dihydro-1-benzofuran-7-yl]oxy]pyridine-3-carbonitrile;5-[4-[[(3S)-7-[[2-methyl-6-(3-methylsulfonylpropoxy)-3-pyridinyl]oxy]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1-oxo-1,2-thiazolidin-3-one;5-[4-[[(3S)-7-[[6-(3-methylsulfonylpropoxy)-3-pyridinyl]oxy]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1-oxo-1,2-thiazolidin-3-one;1-oxo-5-[4-[[(3S)-7-phenoxy-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,2-thiazolidin-3-one is CS(=O)(=O)CCCOc1ccc(Oc2cccc3c2OC[C@H]3Oc2ccc(C3CC(=O)NS3=O)cc2)cn1.Cc1cccc(C)c1-c1cccc2c1OC[C@H]2Oc1ccc(C2CC(=O)NS2=O)cc1.Cc1nc(OCCCS(C)(=O)=O)ccc1Oc1cccc2c1OC[C@H]2Oc1ccc(C2CC(=O)NS2=O)cc1.N#Cc1ccc(Oc2cccc3c2OC[C@H]3Oc2ccc(C3CC(=O)NS3=O)cc2)cn1.N#Cc1ccc(Oc2cccc3c2OC[C@H]3Oc2ccc(C3CC(=O)NS3=O)cc2)nc1.O=C1CC(c2ccc(O[C@@H]3COc4c(Oc5ccccc5)cccc43)cc2)S(=O)N1.
What is the InChIKey of 5-[4-[[(3S)-7-(2,6-dimethylphenyl)-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1-oxo-1,2-thiazolidin-3-one;5-[[(3S)-3-[4-(1,3-dioxo-1,2-thiazolidin-5-yl)phenoxy]-2,3-dihydro-1-benzofuran-7-yl]oxy]pyridine-2-carbonitrile;6-[[(3S)-3-[4-(1,3-dioxo-1,2-thiazolidin-5-yl)phenoxy]-2,3-dihydro-1-benzofuran-7-yl]oxy]pyridine-3-carbonitrile;5-[4-[[(3S)-7-[[2-methyl-6-(3-methylsulfonylpropoxy)-3-pyridinyl]oxy]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1-oxo-1,2-thiazolidin-3-one;5-[4-[[(3S)-7-[[6-(3-methylsulfonylpropoxy)-3-pyridinyl]oxy]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1-oxo-1,2-thiazolidin-3-one;1-oxo-5-[4-[[(3S)-7-phenoxy-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,2-thiazolidin-3-one?
The InChIKey is BDGSDGHCUTYRCL-YPHKBTTFSA-N. The full InChI is InChI=1S/C27H28N2O8S2.C26H26N2O8S2.C25H23NO4S.2C23H17N3O5S.C23H19NO5S/c1-17-21(11-12-26(28-17)34-13-4-14-39(2,32)33)37-22-6-3-5-20-23(16-35-27(20)22)36-19-9-7-18(8-10-19)24-15-25(30)29-38(24)31;1-38(31,32)13-3-12-33-25-11-10-19(15-27-25)36-21-5-2-4-20-22(16-34-26(20)21)35-18-8-6-17(7-9-18)23-14-24(29)28-37(23)30;1-15-5-3-6-16(2)24(15)20-8-4-7-19-21(14-29-25(19)20)30-18-11-9-17(10-12-18)22-13-23(27)26-31(22)28;24-11-14-4-9-22(25-12-14)31-18-3-1-2-17-19(13-29-23(17)18)30-16-7-5-15(6-8-16)20-10-21(27)26-32(20)28;24-11-15-6-9-17(12-25-15)31-19-3-1-2-18-20(13-29-23(18)19)30-16-7-4-14(5-8-16)21-10-22(27)26-32(21)28;25-22-13-21(30(26)24-22)15-9-11-17(12-10-15)29-20-14-27-23-18(20)7-4-8-19(23)28-16-5-2-1-3-6-16/h3,5-12,23-24H,4,13-16H2,1-2H3,(H,29,30);2,4-11,15,22-23H,3,12-14,16H2,1H3,(H,28,29);3-12,21-22H,13-14H2,1-2H3,(H,26,27);1-9,12,19-20H,10,13H2,(H,26,27);1-9,12,20-21H,10,13H2,(H,26,27);1-12,20-21H,13-14H2,(H,24,25)/t23-,24?,38?;22-,23?,37?;21-,22?,31?;19-,20?,32?;20-,21?,32?;20-,21?,30?/m111111/s1.
What are the key properties of 5-[4-[[(3S)-7-(2,6-dimethylphenyl)-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1-oxo-1,2-thiazolidin-3-one;5-[[(3S)-3-[4-(1,3-dioxo-1,2-thiazolidin-5-yl)phenoxy]-2,3-dihydro-1-benzofuran-7-yl]oxy]pyridine-2-carbonitrile;6-[[(3S)-3-[4-(1,3-dioxo-1,2-thiazolidin-5-yl)phenoxy]-2,3-dihydro-1-benzofuran-7-yl]oxy]pyridine-3-carbonitrile;5-[4-[[(3S)-7-[[2-methyl-6-(3-methylsulfonylpropoxy)-3-pyridinyl]oxy]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1-oxo-1,2-thiazolidin-3-one;5-[4-[[(3S)-7-[[6-(3-methylsulfonylpropoxy)-3-pyridinyl]oxy]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1-oxo-1,2-thiazolidin-3-one;1-oxo-5-[4-[[(3S)-7-phenoxy-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,2-thiazolidin-3-one?
5-[4-[[(3S)-7-(2,6-dimethylphenyl)-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1-oxo-1,2-thiazolidin-3-one;5-[[(3S)-3-[4-(1,3-dioxo-1,2-thiazolidin-5-yl)phenoxy]-2,3-dihydro-1-benzofuran-7-yl]oxy]pyridine-2-carbonitrile;6-[[(3S)-3-[4-(1,3-dioxo-1,2-thiazolidin-5-yl)phenoxy]-2,3-dihydro-1-benzofuran-7-yl]oxy]pyridine-3-carbonitrile;5-[4-[[(3S)-7-[[2-methyl-6-(3-methylsulfonylpropoxy)-3-pyridinyl]oxy]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1-oxo-1,2-thiazolidin-3-one;5-[4-[[(3S)-7-[[6-(3-methylsulfonylpropoxy)-3-pyridinyl]oxy]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1-oxo-1,2-thiazolidin-3-one;1-oxo-5-[4-[[(3S)-7-phenoxy-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,2-thiazolidin-3-one has a molecular weight of 2881.24 g/mol, XLogP of 23.05, 39 rotatable bonds, 6 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[[(3S)-7-(2,6-dimethylphenyl)-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1-oxo-1,2-thiazolidin-3-one;5-[[(3S)-3-[4-(1,3-dioxo-1,2-thiazolidin-5-yl)phenoxy]-2,3-dihydro-1-benzofuran-7-yl]oxy]pyridine-2-carbonitrile;6-[[(3S)-3-[4-(1,3-dioxo-1,2-thiazolidin-5-yl)phenoxy]-2,3-dihydro-1-benzofuran-7-yl]oxy]pyridine-3-carbonitrile;5-[4-[[(3S)-7-[[2-methyl-6-(3-methylsulfonylpropoxy)-3-pyridinyl]oxy]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1-oxo-1,2-thiazolidin-3-one;5-[4-[[(3S)-7-[[6-(3-methylsulfonylpropoxy)-3-pyridinyl]oxy]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1-oxo-1,2-thiazolidin-3-one;1-oxo-5-[4-[[(3S)-7-phenoxy-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,2-thiazolidin-3-one is sourced from PubChem (CID 157313155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).