2-(5-acetylthiophen-2-yl)acetic acid;[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl] 2-[5-[2-[3-(hydroxymethyl)anilino]pyrimidin-4-yl]thiophen-2-yl]acetate;2-[5-[2-[3-(hydroxymethyl)anilino]pyrimidin-4-yl]thiophen-2-yl]acetic acid;2-[5-[2-[3-(hydroxymethyl)anilino]pyrimidin-4-yl]thiophen-2-yl]-N-methyl-N-phenylacetamide;1-[5-[(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)methyl]thiophen-2-yl]ethanone

C84H86N10O17S5 — CID 157284490

IUPAC2-(5-acetylthiophen-2-yl)acetic acid;[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl] 2-[5-[2-[3-(hydroxymethyl)anilino]pyrimidin-4-yl]thiophen-2-yl]acetate;2-[5-[2-[3-(hydroxymethyl)anilino]pyrimidin-4-yl]thiophen-2-yl]acetic acid;2-[5-[2-[3-(hydroxymethyl)anilino]pyrimidin-4-yl]thiophen-2-yl]-N-methyl-N-phenylacetamide;1-[5-[(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)methyl]thiophen-2-yl]ethanone
SMILESCC(=O)c1ccc(CC(=O)O)s1.CC(=O)c1ccc(CC23OCC(C)(CO2)CO3)s1.CC(CO)(CO)COC(=O)Cc1ccc(-c2ccnc(Nc3cccc(CO)c3)n2)s1.CN(C(=O)Cc1ccc(-c2ccnc(Nc3cccc(CO)c3)n2)s1)c1ccccc1.O=C(O)Cc1ccc(-c2ccnc(Nc3cccc(CO)c3)n2)s1
InChIInChI=1S/C24H22N4O2S.C22H25N3O5S.C17H15N3O3S.C13H16O4S.C8H8O3S/c1-28(19-8-3-2-4-9-19)23(30)15-20-10-11-22(31-20)21-12-13-25-24(27-21)26-18-7-5-6-17(14-18)16-29;1-22(12-27,13-28)14-30-20(29)10-17-5-6-19(31-17)18-7-8-23-21(25-18)24-16-4-2-3-15(9-16)11-26;21-10-11-2-1-3-12(8-11)19-17-18-7-6-14(20-17)15-5-4-13(24-15)9-16(22)23;1-9(14)11-4-3-10(18-11)5-13-15-6-12(2,7-16-13)8-17-13;1-5(9)7-3-2-6(12-7)4-8(10)11/h2-14,29H,15-16H2,1H3,(H,25,26,27);2-9,26-28H,10-14H2,1H3,(H,23,24,25);1-8,21H,9-10H2,(H,22,23)(H,18,19,20);3-4H,5-8H2,1-2H3;2-3H,4H2,1H3,(H,10,11)
InChIKeyBABFZNJUZYNJMH-UHFFFAOYSA-N
MW1668.00 g/mol
LogP14.04
Rot. Bonds29

About 2-(5-acetylthiophen-2-yl)acetic acid;[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl] 2-[5-[2-[3-(hydroxymethyl)anilino]pyrimidin-4-yl]thiophen-2-yl]acetate;2-[5-[2-[3-(hydroxymethyl)anilino]pyrimidin-4-yl]thiophen-2-yl]acetic acid;2-[5-[2-[3-(hydroxymethyl)anilino]pyrimidin-4-yl]thiophen-2-yl]-N-methyl-N-phenylacetamide;1-[5-[(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)methyl]thiophen-2-yl]ethanone

2-(5-acetylthiophen-2-yl)acetic acid;[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl] 2-[5-[2-[3-(hydroxymethyl)anilino]pyrimidin-4-yl]thiophen-2-yl]acetate;2-[5-[2-[3-(hydroxymethyl)anilino]pyrimidin-4-yl]thiophen-2-yl]acetic acid;2-[5-[2-[3-(hydroxymethyl)anilino]pyrimidin-4-yl]thiophen-2-yl]-N-methyl-N-phenylacetamide;1-[5-[(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)methyl]thiophen-2-yl]ethanone (PubChem CID 157284490) has the molecular formula C84H86N10O17S5 and a molecular weight of 1668.00 g/mol. Its IUPAC name is 2-(5-acetylthiophen-2-yl)acetic acid;[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl] 2-[5-[2-[3-(hydroxymethyl)anilino]pyrimidin-4-yl]thiophen-2-yl]acetate;2-[5-[2-[3-(hydroxymethyl)anilino]pyrimidin-4-yl]thiophen-2-yl]acetic acid;2-[5-[2-[3-(hydroxymethyl)anilino]pyrimidin-4-yl]thiophen-2-yl]-N-methyl-N-phenylacetamide;1-[5-[(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)methyl]thiophen-2-yl]ethanone.

Molecular Properties

Compound Name2-(5-acetylthiophen-2-yl)acetic acid;[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl] 2-[5-[2-[3-(hydroxymethyl)anilino]pyrimidin-4-yl]thiophen-2-yl]acetate;2-[5-[2-[3-(hydroxymethyl)anilino]pyrimidin-4-yl]thiophen-2-yl]acetic acid;2-[5-[2-[3-(hydroxymethyl)anilino]pyrimidin-4-yl]thiophen-2-yl]-N-methyl-N-phenylacetamide;1-[5-[(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)methyl]thiophen-2-yl]ethanone
PubChem CID157284490
Molecular FormulaC84H86N10O17S5
Molecular Weight1668.00 g/mol
Exact Mass1666.48
IUPAC Name2-(5-acetylthiophen-2-yl)acetic acid;[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl] 2-[5-[2-[3-(hydroxymethyl)anilino]pyrimidin-4-yl]thiophen-2-yl]acetate;2-[5-[2-[3-(hydroxymethyl)anilino]pyrimidin-4-yl]thiophen-2-yl]acetic acid;2-[5-[2-[3-(hydroxymethyl)anilino]pyrimidin-4-yl]thiophen-2-yl]-N-methyl-N-phenylacetamide;1-[5-[(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)methyl]thiophen-2-yl]ethanone
SMILESCC(=O)c1ccc(CC(=O)O)s1.CC(=O)c1ccc(CC23OCC(C)(CO2)CO3)s1.CC(CO)(CO)COC(=O)Cc1ccc(-c2ccnc(Nc3cccc(CO)c3)n2)s1.CN(C(=O)Cc1ccc(-c2ccnc(Nc3cccc(CO)c3)n2)s1)c1ccccc1.O=C(O)Cc1ccc(-c2ccnc(Nc3cccc(CO)c3)n2)s1
InChIInChI=1S/C24H22N4O2S.C22H25N3O5S.C17H15N3O3S.C13H16O4S.C8H8O3S/c1-28(19-8-3-2-4-9-19)23(30)15-20-10-11-22(31-20)21-12-13-25-24(27-21)26-18-7-5-6-17(14-18)16-29;1-22(12-27,13-28)14-30-20(29)10-17-5-6-19(31-17)18-7-8-23-21(25-18)24-16-4-2-3-15(9-16)11-26;21-10-11-2-1-3-12(8-11)19-17-18-7-6-14(20-17)15-5-4-13(24-15)9-16(22)23;1-9(14)11-4-3-10(18-11)5-13-15-6-12(2,7-16-13)8-17-13;1-5(9)7-3-2-6(12-7)4-8(10)11/h2-14,29H,15-16H2,1H3,(H,25,26,27);2-9,26-28H,10-14H2,1H3,(H,23,24,25);1-8,21H,9-10H2,(H,22,23)(H,18,19,20);3-4H,5-8H2,1-2H3;2-3H,4H2,1H3,(H,10,11)
InChIKeyBABFZNJUZYNJMH-UHFFFAOYSA-N
XLogP14.04
TPSA397.62 Ų
H-Bond Donors10
H-Bond Acceptors29
Rotatable Bonds29
Heavy Atoms116
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001668.00
LogP ≤ 514.04
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1029

Analyze 2-(5-acetylthiophen-2-yl)acetic acid;[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl] 2-[5-[2-[3-(hydroxymethyl)anilino]pyrimidin-4-yl]thiophen-2-yl]acetate;2-[5-[2-[3-(hydroxymethyl)anilino]pyrimidin-4-yl]thiophen-2-yl]acetic acid;2-[5-[2-[3-(hydroxymethyl)anilino]pyrimidin-4-yl]thiophen-2-yl]-N-methyl-N-phenylacetamide;1-[5-[(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)methyl]thiophen-2-yl]ethanone with MolForge

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Related Compounds

5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]-N-methoxy-N-methylthiophene-2-carboxamide;5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophene-2-carboxylic acid;1-[5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophen-2-yl]ethanone
CID 157232108
N-(4-hydroxybutyl)-5-[2-[3-(2-morpholin-4-ylethyl)anilino]pyrimidin-4-yl]thiophene-2-carboxamide;N-[3-(hydroxymethyl)phenyl]-5-[2-[3-(2-morpholin-4-ylethyl)anilino]pyrimidin-4-yl]thiophene-2-carboxamide;N-(1H-indol-6-ylmethyl)-5-[2-[3-(2-morpholin-4-ylethyl)anilino]pyrimidin-4-yl]thiophene-2-carboxamide;N-[[3-(methanesulfonamido)phenyl]methyl]-5-[2-[3-(2-morpholin-4-ylethyl)anilino]pyrimidin-4-yl]thiophene-2-carboxamide
CID 157288494
[4-[2-(Dimethylamino)ethyl]piperazin-1-yl]-[3-[[4-[5-(2,6-dimethylphenyl)thiophen-2-yl]pyrimidin-2-yl]amino]phenyl]methanone;1-[3-[[4-[5-(2-phenylphenyl)thiophen-2-yl]pyrimidin-2-yl]amino]phenyl]ethanol
CID 157420856
1,3-Dihydroisoindol-2-yl-[5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophen-2-yl]methanone;(5-ethyl-2-methylpiperidin-1-yl)-[5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophen-2-yl]methanone;[5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophen-2-yl]-(3-methoxypyrrolidin-1-yl)methanone
CID 157434599
N-benzyl-5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]-N-methylthiophene-3-carboxamide;N-[(4-ethylpiperazin-1-yl)methyl]-5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophene-3-carboxamide;5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]-N-(pyridin-4-ylmethyl)thiophene-3-carboxamide
CID 157437469
4-(Dimethylamino)-1-[3-[3-[5-(2,6-dimethylphenyl)thiophen-2-yl]anilino]phenyl]butan-1-one;[3-[3-[5-(2-ethylphenyl)thiophen-2-yl]anilino]phenyl]-[4-(3-methylbutyl)cyclohexyl]methanone;[4-[5-[2-[[3-(1-hydroxyethyl)phenyl]methyl]pyrimidin-4-yl]thiophen-2-yl]phenyl]-morpholin-4-ylmethanone;1-[4-[5-[2-[[3-(1-hydroxyethyl)phenyl]methyl]pyrimidin-4-yl]thiophen-2-yl]phenyl]propan-1-one
CID 157895507
4-[5-(2-ethylphenyl)thiophen-2-yl]-N-[3-(morpholin-4-ylmethyl)phenyl]pyrimidin-2-amine;3-[[4-[5-(2-ethylphenyl)thiophen-2-yl]pyrimidin-2-yl]amino]-N,N-dimethylbenzamide;[3-[[4-[5-(2-ethylphenyl)thiophen-2-yl]pyrimidin-2-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone;2-[3-[5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophen-2-yl]phenyl]acetonitrile;1-[3-[[4-[5-[2-(methoxymethyl)phenyl]thiophen-2-yl]pyrimidin-2-yl]amino]phenyl]ethanol
CID 157928042
N-benzyl-5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]-N-methylthiophene-3-carboxamide;N-benzyl-5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophene-3-carboxamide;(4-ethylpiperazin-1-yl)-[5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophen-3-yl]methanone;5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]-N-(pyridin-4-ylmethyl)thiophene-3-carboxamide;[5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophen-3-yl]-piperidin-1-ylmethanone
CID 158066869
N-[3-(hydroxymethyl)cyclohexyl]-5-[2-[3-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]thiophene-2-carboxamide;N-[[3-(hydroxymethyl)phenyl]methyl]-5-[2-[3-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]thiophene-2-carboxamide;5-[2-[3-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]-N-(1-phenyl-2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide
CID 158227216
5-acetyl-N-[2-(4-fluorophenyl)ethyl]thiophene-2-carboxamide;5-acetylthiophene-2-carboxylic acid;5-[3-(dimethylamino)prop-2-enoyl]-N-[2-(4-fluorophenyl)ethyl]thiophene-2-carboxamide;N-[2-(4-fluorophenyl)ethyl]-5-[2-(methylamino)pyrimidin-4-yl]thiophene-2-carboxamide
CID 158370632
bis((3S)-1-[5-[2-[3-[[4-(2-hydroxyethyl)cyclohexyl]methyl]anilino]pyrimidin-4-yl]thiophen-2-yl]-3-phenylbutan-1-one);bis((3S)-1-[5-[2-(3-pentylanilino)pyrimidin-4-yl]thiophen-2-yl]-3-phenylbutan-1-one)
CID 158600922
N-[(3-acetamidophenyl)methyl]-5-[2-[3-(2-morpholin-4-ylethyl)anilino]pyrimidin-4-yl]thiophene-2-carboxamide;N-[[3-(dimethylamino)phenyl]methyl]-5-[2-[3-(2-morpholin-4-ylethyl)anilino]pyrimidin-4-yl]thiophene-2-carboxamide;N-[[3-(hydroxymethyl)phenyl]methyl]-5-[2-[3-(2-morpholin-4-ylethyl)anilino]pyrimidin-4-yl]thiophene-2-carboxamide;N-[2-(3-hydroxyphenyl)ethyl]-5-[2-[3-(2-morpholin-4-ylethyl)anilino]pyrimidin-4-yl]thiophene-2-carboxamide
CID 158606459

Frequently Asked Questions

What is the IUPAC name of 2-(5-acetylthiophen-2-yl)acetic acid;[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl] 2-[5-[2-[3-(hydroxymethyl)anilino]pyrimidin-4-yl]thiophen-2-yl]acetate;2-[5-[2-[3-(hydroxymethyl)anilino]pyrimidin-4-yl]thiophen-2-yl]acetic acid;2-[5-[2-[3-(hydroxymethyl)anilino]pyrimidin-4-yl]thiophen-2-yl]-N-methyl-N-phenylacetamide;1-[5-[(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)methyl]thiophen-2-yl]ethanone?
The IUPAC name of 2-(5-acetylthiophen-2-yl)acetic acid;[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl] 2-[5-[2-[3-(hydroxymethyl)anilino]pyrimidin-4-yl]thiophen-2-yl]acetate;2-[5-[2-[3-(hydroxymethyl)anilino]pyrimidin-4-yl]thiophen-2-yl]acetic acid;2-[5-[2-[3-(hydroxymethyl)anilino]pyrimidin-4-yl]thiophen-2-yl]-N-methyl-N-phenylacetamide;1-[5-[(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)methyl]thiophen-2-yl]ethanone (CID 157284490) is 2-(5-acetylthiophen-2-yl)acetic acid;[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl] 2-[5-[2-[3-(hydroxymethyl)anilino]pyrimidin-4-yl]thiophen-2-yl]acetate;2-[5-[2-[3-(hydroxymethyl)anilino]pyrimidin-4-yl]thiophen-2-yl]acetic acid;2-[5-[2-[3-(hydroxymethyl)anilino]pyrimidin-4-yl]thiophen-2-yl]-N-methyl-N-phenylacetamide;1-[5-[(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)methyl]thiophen-2-yl]ethanone.
What is the SMILES notation for 2-(5-acetylthiophen-2-yl)acetic acid;[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl] 2-[5-[2-[3-(hydroxymethyl)anilino]pyrimidin-4-yl]thiophen-2-yl]acetate;2-[5-[2-[3-(hydroxymethyl)anilino]pyrimidin-4-yl]thiophen-2-yl]acetic acid;2-[5-[2-[3-(hydroxymethyl)anilino]pyrimidin-4-yl]thiophen-2-yl]-N-methyl-N-phenylacetamide;1-[5-[(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)methyl]thiophen-2-yl]ethanone?
The canonical SMILES for 2-(5-acetylthiophen-2-yl)acetic acid;[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl] 2-[5-[2-[3-(hydroxymethyl)anilino]pyrimidin-4-yl]thiophen-2-yl]acetate;2-[5-[2-[3-(hydroxymethyl)anilino]pyrimidin-4-yl]thiophen-2-yl]acetic acid;2-[5-[2-[3-(hydroxymethyl)anilino]pyrimidin-4-yl]thiophen-2-yl]-N-methyl-N-phenylacetamide;1-[5-[(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)methyl]thiophen-2-yl]ethanone is CC(=O)c1ccc(CC(=O)O)s1.CC(=O)c1ccc(CC23OCC(C)(CO2)CO3)s1.CC(CO)(CO)COC(=O)Cc1ccc(-c2ccnc(Nc3cccc(CO)c3)n2)s1.CN(C(=O)Cc1ccc(-c2ccnc(Nc3cccc(CO)c3)n2)s1)c1ccccc1.O=C(O)Cc1ccc(-c2ccnc(Nc3cccc(CO)c3)n2)s1.
What is the InChIKey of 2-(5-acetylthiophen-2-yl)acetic acid;[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl] 2-[5-[2-[3-(hydroxymethyl)anilino]pyrimidin-4-yl]thiophen-2-yl]acetate;2-[5-[2-[3-(hydroxymethyl)anilino]pyrimidin-4-yl]thiophen-2-yl]acetic acid;2-[5-[2-[3-(hydroxymethyl)anilino]pyrimidin-4-yl]thiophen-2-yl]-N-methyl-N-phenylacetamide;1-[5-[(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)methyl]thiophen-2-yl]ethanone?
The InChIKey is BABFZNJUZYNJMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O2S.C22H25N3O5S.C17H15N3O3S.C13H16O4S.C8H8O3S/c1-28(19-8-3-2-4-9-19)23(30)15-20-10-11-22(31-20)21-12-13-25-24(27-21)26-18-7-5-6-17(14-18)16-29;1-22(12-27,13-28)14-30-20(29)10-17-5-6-19(31-17)18-7-8-23-21(25-18)24-16-4-2-3-15(9-16)11-26;21-10-11-2-1-3-12(8-11)19-17-18-7-6-14(20-17)15-5-4-13(24-15)9-16(22)23;1-9(14)11-4-3-10(18-11)5-13-15-6-12(2,7-16-13)8-17-13;1-5(9)7-3-2-6(12-7)4-8(10)11/h2-14,29H,15-16H2,1H3,(H,25,26,27);2-9,26-28H,10-14H2,1H3,(H,23,24,25);1-8,21H,9-10H2,(H,22,23)(H,18,19,20);3-4H,5-8H2,1-2H3;2-3H,4H2,1H3,(H,10,11).
What are the key properties of 2-(5-acetylthiophen-2-yl)acetic acid;[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl] 2-[5-[2-[3-(hydroxymethyl)anilino]pyrimidin-4-yl]thiophen-2-yl]acetate;2-[5-[2-[3-(hydroxymethyl)anilino]pyrimidin-4-yl]thiophen-2-yl]acetic acid;2-[5-[2-[3-(hydroxymethyl)anilino]pyrimidin-4-yl]thiophen-2-yl]-N-methyl-N-phenylacetamide;1-[5-[(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)methyl]thiophen-2-yl]ethanone?
2-(5-acetylthiophen-2-yl)acetic acid;[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl] 2-[5-[2-[3-(hydroxymethyl)anilino]pyrimidin-4-yl]thiophen-2-yl]acetate;2-[5-[2-[3-(hydroxymethyl)anilino]pyrimidin-4-yl]thiophen-2-yl]acetic acid;2-[5-[2-[3-(hydroxymethyl)anilino]pyrimidin-4-yl]thiophen-2-yl]-N-methyl-N-phenylacetamide;1-[5-[(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)methyl]thiophen-2-yl]ethanone has a molecular weight of 1668.00 g/mol, XLogP of 14.04, 29 rotatable bonds, 10 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-acetylthiophen-2-yl)acetic acid;[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl] 2-[5-[2-[3-(hydroxymethyl)anilino]pyrimidin-4-yl]thiophen-2-yl]acetate;2-[5-[2-[3-(hydroxymethyl)anilino]pyrimidin-4-yl]thiophen-2-yl]acetic acid;2-[5-[2-[3-(hydroxymethyl)anilino]pyrimidin-4-yl]thiophen-2-yl]-N-methyl-N-phenylacetamide;1-[5-[(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)methyl]thiophen-2-yl]ethanone is sourced from PubChem (CID 157284490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).