3-[2-[[6-(1-benzothiophen-2-yl)-2-oxo-1H-indol-3-ylidene]methyl]-4-oxo-1,5,6,7-tetrahydroindol-3-yl]propanoic acid;3-[2-[[6-(3,4-dihydroxyphenyl)-2-oxo-1H-indol-3-ylidene]methyl]-4-oxo-1,5,6,7-tetrahydroindol-3-yl]propanoic acid;ethyl 3-[2-[[6-(1-benzothiophen-2-yl)-2-oxo-1H-indol-3-ylidene]methyl]-4-oxo-1,5,6,7-tetrahydroindol-3-yl]propanoate;ethyl 3-[2-[[6-(3,4-dihydroxyphenyl)-2-oxo-1H-indol-3-ylidene]methyl]-4-oxo-1,5,6,7-tetrahydroindol-3-yl]propanoate;ethyl 3-[2-[[6-(4-hydroxy-3-methoxyphenyl)-2-oxo-1H-indol-3-ylidene]methyl]-4-oxo-1,5,6,7-tetrahydroindol-3-yl]propanoate

C141H124N10O26S2 — CID 173111854

About 3-[2-[[6-(1-benzothiophen-2-yl)-2-oxo-1H-indol-3-ylidene]methyl]-4-oxo-1,5,6,7-tetrahydroindol-3-yl]propanoic acid;3-[2-[[6-(3,4-dihydroxyphenyl)-2-oxo-1H-indol-3-ylidene]methyl]-4-oxo-1,5,6,7-tetrahydroindol-3-yl]propanoic acid;ethyl 3-[2-[[6-(1-benzothiophen-2-yl)-2-oxo-1H-indol-3-ylidene]methyl]-4-oxo-1,5,6,7-tetrahydroindol-3-yl]propanoate;ethyl 3-[2-[[6-(3,4-dihydroxyphenyl)-2-oxo-1H-indol-3-ylidene]methyl]-4-oxo-1,5,6,7-tetrahydroindol-3-yl]propanoate;ethyl 3-[2-[[6-(4-hydroxy-3-methoxyphenyl)-2-oxo-1H-indol-3-ylidene]methyl]-4-oxo-1,5,6,7-tetrahydroindol-3-yl]propanoate

3-[2-[[6-(1-benzothiophen-2-yl)-2-oxo-1H-indol-3-ylidene]methyl]-4-oxo-1,5,6,7-tetrahydroindol-3-yl]propanoic acid;3-[2-[[6-(3,4-dihydroxyphenyl)-2-oxo-1H-indol-3-ylidene]methyl]-4-oxo-1,5,6,7-tetrahydroindol-3-yl]propanoic acid;ethyl 3-[2-[[6-(1-benzothiophen-2-yl)-2-oxo-1H-indol-3-ylidene]methyl]-4-oxo-1,5,6,7-tetrahydroindol-3-yl]propanoate;ethyl 3-[2-[[6-(3,4-dihydroxyphenyl)-2-oxo-1H-indol-3-ylidene]methyl]-4-oxo-1,5,6,7-tetrahydroindol-3-yl]propanoate;ethyl 3-[2-[[6-(4-hydroxy-3-methoxyphenyl)-2-oxo-1H-indol-3-ylidene]methyl]-4-oxo-1,5,6,7-tetrahydroindol-3-yl]propanoate (PubChem CID 173111854) has the molecular formula C141H124N10O26S2 and a molecular weight of 2438.72 g/mol. Its IUPAC name is 3-[2-[[6-(1-benzothiophen-2-yl)-2-oxo-1H-indol-3-ylidene]methyl]-4-oxo-1,5,6,7-tetrahydroindol-3-yl]propanoic acid;3-[2-[[6-(3,4-dihydroxyphenyl)-2-oxo-1H-indol-3-ylidene]methyl]-4-oxo-1,5,6,7-tetrahydroindol-3-yl]propanoic acid;ethyl 3-[2-[[6-(1-benzothiophen-2-yl)-2-oxo-1H-indol-3-ylidene]methyl]-4-oxo-1,5,6,7-tetrahydroindol-3-yl]propanoate;ethyl 3-[2-[[6-(3,4-dihydroxyphenyl)-2-oxo-1H-indol-3-ylidene]methyl]-4-oxo-1,5,6,7-tetrahydroindol-3-yl]propanoate;ethyl 3-[2-[[6-(4-hydroxy-3-methoxyphenyl)-2-oxo-1H-indol-3-ylidene]methyl]-4-oxo-1,5,6,7-tetrahydroindol-3-yl]propanoate.

Molecular Properties

• Compound Name: 3-[2-[[6-(1-benzothiophen-2-yl)-2-oxo-1H-indol-3-ylidene]methyl]-4-oxo-1,5,6,7-tetrahydroindol-3-yl]propanoic acid;3-[2-[[6-(3,4-dihydroxyphenyl)-2-oxo-1H-indol-3-ylidene]methyl]-4-oxo-1,5,6,7-tetrahydroindol-3-yl]propanoic acid;ethyl 3-[2-[[6-(1-benzothiophen-2-yl)-2-oxo-1H-indol-3-ylidene]methyl]-4-oxo-1,5,6,7-tetrahydroindol-3-yl]propanoate;ethyl 3-[2-[[6-(3,4-dihydroxyphenyl)-2-oxo-1H-indol-3-ylidene]methyl]-4-oxo-1,5,6,7-tetrahydroindol-3-yl]propanoate;ethyl 3-[2-[[6-(4-hydroxy-3-methoxyphenyl)-2-oxo-1H-indol-3-ylidene]methyl]-4-oxo-1,5,6,7-tetrahydroindol-3-yl]propanoate
• PubChem CID: 173111854
• Molecular Formula: C141H124N10O26S2
• Molecular Weight: 2438.72 g/mol
• Exact Mass: 2436.81
• IUPAC Name: 3-[2-[[6-(1-benzothiophen-2-yl)-2-oxo-1H-indol-3-ylidene]methyl]-4-oxo-1,5,6,7-tetrahydroindol-3-yl]propanoic acid;3-[2-[[6-(3,4-dihydroxyphenyl)-2-oxo-1H-indol-3-ylidene]methyl]-4-oxo-1,5,6,7-tetrahydroindol-3-yl]propanoic acid;ethyl 3-[2-[[6-(1-benzothiophen-2-yl)-2-oxo-1H-indol-3-ylidene]methyl]-4-oxo-1,5,6,7-tetrahydroindol-3-yl]propanoate;ethyl 3-[2-[[6-(3,4-dihydroxyphenyl)-2-oxo-1H-indol-3-ylidene]methyl]-4-oxo-1,5,6,7-tetrahydroindol-3-yl]propanoate;ethyl 3-[2-[[6-(4-hydroxy-3-methoxyphenyl)-2-oxo-1H-indol-3-ylidene]methyl]-4-oxo-1,5,6,7-tetrahydroindol-3-yl]propanoate
• SMILES: CCOC(=O)CCc1c(C=C2C(=O)Nc3cc(-c4cc5ccccc5s4)ccc32)[nH]c2c1C(=O)CCC2.CCOC(=O)CCc1c(C=C2C(=O)Nc3cc(-c4ccc(O)c(O)c4)ccc32)[nH]c2c1C(=O)CCC2.CCOC(=O)CCc1c(C=C2C(=O)Nc3cc(-c4ccc(O)c(OC)c4)ccc32)[nH]c2c1C(=O)CCC2.O=C(O)CCc1c(C=C2C(=O)Nc3cc(-c4cc5ccccc5s4)ccc32)[nH]c2c1C(=O)CCC2.O=C(O)CCc1c(C=C2C(=O)Nc3cc(-c4ccc(O)c(O)c4)ccc32)[nH]c2c1C(=O)CCC2
• InChI: InChI=1S/C30H26N2O4S.C29H28N2O6.C28H26N2O6.C28H22N2O4S.C26H22N2O6/c1-2-36-28(34)13-12-20-24(31-22-7-5-8-25(33)29(20)22)16-21-19-11-10-18(14-23(19)32-30(21)35)27-15-17-6-3-4-9-26(17)37-27;1-3-37-27(34)12-10-19-23(30-21-5-4-6-25(33)28(19)21)15-20-18-9-7-16(13-22(18)31-29(20)35)17-8-11-24(32)26(14-17)36-2;1-2-36-26(34)11-9-18-22(29-20-4-3-5-24(32)27(18)20)14-19-17-8-6-15(12-21(17)30-28(19)35)16-7-10-23(31)25(33)13-16;31-23-6-3-5-20-27(23)18(10-11-26(32)33)22(29-20)14-19-17-9-8-16(12-21(17)30-28(19)34)25-13-15-4-1-2-7-24(15)35-25;29-21-8-5-14(11-23(21)31)13-4-6-15-17(26(34)28-19(15)10-13)12-20-16(7-9-24(32)33)25-18(27-20)2-1-3-22(25)30/h3-4,6,9-11,14-16,31H,2,5,7-8,12-13H2,1H3,(H,32,35);7-9,11,13-15,30,32H,3-6,10,12H2,1-2H3,(H,31,35);6-8,10,12-14,29,31,33H,2-5,9,11H2,1H3,(H,30,35);1-2,4,7-9,12-14,29H,3,5-6,10-11H2,(H,30,34)(H,32,33);4-6,8,10-12,27,29,31H,1-3,7,9H2,(H,28,34)(H,32,33)
• InChIKey: QHVJCTSMDJTBCI-UHFFFAOYSA-N
• XLogP: 25.95
• TPSA: 573.68 Ų
• H-Bond Donors: 17
• H-Bond Acceptors: 26
• Rotatable Bonds: 29
• Heavy Atoms: 179
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2438.72
LogP ≤ 5	25.95
H-Bond Donors ≤ 5	17
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[2-[[6-(1-benzothiophen-2-yl)-2-oxo-1H-indol-3-ylidene]methyl]-4-oxo-1,5,6,7-tetrahydroindol-3-yl]propanoic acid;3-[2-[[6-(3,4-dihydroxyphenyl)-2-oxo-1H-indol-3-ylidene]methyl]-4-oxo-1,5,6,7-tetrahydroindol-3-yl]propanoic acid;ethyl 3-[2-[[6-(1-benzothiophen-2-yl)-2-oxo-1H-indol-3-ylidene]methyl]-4-oxo-1,5,6,7-tetrahydroindol-3-yl]propanoate;ethyl 3-[2-[[6-(3,4-dihydroxyphenyl)-2-oxo-1H-indol-3-ylidene]methyl]-4-oxo-1,5,6,7-tetrahydroindol-3-yl]propanoate;ethyl 3-[2-[[6-(4-hydroxy-3-methoxyphenyl)-2-oxo-1H-indol-3-ylidene]methyl]-4-oxo-1,5,6,7-tetrahydroindol-3-yl]propanoate?

The IUPAC name of 3-[2-[[6-(1-benzothiophen-2-yl)-2-oxo-1H-indol-3-ylidene]methyl]-4-oxo-1,5,6,7-tetrahydroindol-3-yl]propanoic acid;3-[2-[[6-(3,4-dihydroxyphenyl)-2-oxo-1H-indol-3-ylidene]methyl]-4-oxo-1,5,6,7-tetrahydroindol-3-yl]propanoic acid;ethyl 3-[2-[[6-(1-benzothiophen-2-yl)-2-oxo-1H-indol-3-ylidene]methyl]-4-oxo-1,5,6,7-tetrahydroindol-3-yl]propanoate;ethyl 3-[2-[[6-(3,4-dihydroxyphenyl)-2-oxo-1H-indol-3-ylidene]methyl]-4-oxo-1,5,6,7-tetrahydroindol-3-yl]propanoate;ethyl 3-[2-[[6-(4-hydroxy-3-methoxyphenyl)-2-oxo-1H-indol-3-ylidene]methyl]-4-oxo-1,5,6,7-tetrahydroindol-3-yl]propanoate (CID 173111854) is 3-[2-[[6-(1-benzothiophen-2-yl)-2-oxo-1H-indol-3-ylidene]methyl]-4-oxo-1,5,6,7-tetrahydroindol-3-yl]propanoic acid;3-[2-[[6-(3,4-dihydroxyphenyl)-2-oxo-1H-indol-3-ylidene]methyl]-4-oxo-1,5,6,7-tetrahydroindol-3-yl]propanoic acid;ethyl 3-[2-[[6-(1-benzothiophen-2-yl)-2-oxo-1H-indol-3-ylidene]methyl]-4-oxo-1,5,6,7-tetrahydroindol-3-yl]propanoate;ethyl 3-[2-[[6-(3,4-dihydroxyphenyl)-2-oxo-1H-indol-3-ylidene]methyl]-4-oxo-1,5,6,7-tetrahydroindol-3-yl]propanoate;ethyl 3-[2-[[6-(4-hydroxy-3-methoxyphenyl)-2-oxo-1H-indol-3-ylidene]methyl]-4-oxo-1,5,6,7-tetrahydroindol-3-yl]propanoate.

What is the SMILES notation for 3-[2-[[6-(1-benzothiophen-2-yl)-2-oxo-1H-indol-3-ylidene]methyl]-4-oxo-1,5,6,7-tetrahydroindol-3-yl]propanoic acid;3-[2-[[6-(3,4-dihydroxyphenyl)-2-oxo-1H-indol-3-ylidene]methyl]-4-oxo-1,5,6,7-tetrahydroindol-3-yl]propanoic acid;ethyl 3-[2-[[6-(1-benzothiophen-2-yl)-2-oxo-1H-indol-3-ylidene]methyl]-4-oxo-1,5,6,7-tetrahydroindol-3-yl]propanoate;ethyl 3-[2-[[6-(3,4-dihydroxyphenyl)-2-oxo-1H-indol-3-ylidene]methyl]-4-oxo-1,5,6,7-tetrahydroindol-3-yl]propanoate;ethyl 3-[2-[[6-(4-hydroxy-3-methoxyphenyl)-2-oxo-1H-indol-3-ylidene]methyl]-4-oxo-1,5,6,7-tetrahydroindol-3-yl]propanoate?

The canonical SMILES for 3-[2-[[6-(1-benzothiophen-2-yl)-2-oxo-1H-indol-3-ylidene]methyl]-4-oxo-1,5,6,7-tetrahydroindol-3-yl]propanoic acid;3-[2-[[6-(3,4-dihydroxyphenyl)-2-oxo-1H-indol-3-ylidene]methyl]-4-oxo-1,5,6,7-tetrahydroindol-3-yl]propanoic acid;ethyl 3-[2-[[6-(1-benzothiophen-2-yl)-2-oxo-1H-indol-3-ylidene]methyl]-4-oxo-1,5,6,7-tetrahydroindol-3-yl]propanoate;ethyl 3-[2-[[6-(3,4-dihydroxyphenyl)-2-oxo-1H-indol-3-ylidene]methyl]-4-oxo-1,5,6,7-tetrahydroindol-3-yl]propanoate;ethyl 3-[2-[[6-(4-hydroxy-3-methoxyphenyl)-2-oxo-1H-indol-3-ylidene]methyl]-4-oxo-1,5,6,7-tetrahydroindol-3-yl]propanoate is CCOC(=O)CCc1c(C=C2C(=O)Nc3cc(-c4cc5ccccc5s4)ccc32)[nH]c2c1C(=O)CCC2.CCOC(=O)CCc1c(C=C2C(=O)Nc3cc(-c4ccc(O)c(O)c4)ccc32)[nH]c2c1C(=O)CCC2.CCOC(=O)CCc1c(C=C2C(=O)Nc3cc(-c4ccc(O)c(OC)c4)ccc32)[nH]c2c1C(=O)CCC2.O=C(O)CCc1c(C=C2C(=O)Nc3cc(-c4cc5ccccc5s4)ccc32)[nH]c2c1C(=O)CCC2.O=C(O)CCc1c(C=C2C(=O)Nc3cc(-c4ccc(O)c(O)c4)ccc32)[nH]c2c1C(=O)CCC2.

What is the InChIKey of 3-[2-[[6-(1-benzothiophen-2-yl)-2-oxo-1H-indol-3-ylidene]methyl]-4-oxo-1,5,6,7-tetrahydroindol-3-yl]propanoic acid;3-[2-[[6-(3,4-dihydroxyphenyl)-2-oxo-1H-indol-3-ylidene]methyl]-4-oxo-1,5,6,7-tetrahydroindol-3-yl]propanoic acid;ethyl 3-[2-[[6-(1-benzothiophen-2-yl)-2-oxo-1H-indol-3-ylidene]methyl]-4-oxo-1,5,6,7-tetrahydroindol-3-yl]propanoate;ethyl 3-[2-[[6-(3,4-dihydroxyphenyl)-2-oxo-1H-indol-3-ylidene]methyl]-4-oxo-1,5,6,7-tetrahydroindol-3-yl]propanoate;ethyl 3-[2-[[6-(4-hydroxy-3-methoxyphenyl)-2-oxo-1H-indol-3-ylidene]methyl]-4-oxo-1,5,6,7-tetrahydroindol-3-yl]propanoate?

The InChIKey is QHVJCTSMDJTBCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26N2O4S.C29H28N2O6.C28H26N2O6.C28H22N2O4S.C26H22N2O6/c1-2-36-28(34)13-12-20-24(31-22-7-5-8-25(33)29(20)22)16-21-19-11-10-18(14-23(19)32-30(21)35)27-15-17-6-3-4-9-26(17)37-27;1-3-37-27(34)12-10-19-23(30-21-5-4-6-25(33)28(19)21)15-20-18-9-7-16(13-22(18)31-29(20)35)17-8-11-24(32)26(14-17)36-2;1-2-36-26(34)11-9-18-22(29-20-4-3-5-24(32)27(18)20)14-19-17-8-6-15(12-21(17)30-28(19)35)16-7-10-23(31)25(33)13-16;31-23-6-3-5-20-27(23)18(10-11-26(32)33)22(29-20)14-19-17-9-8-16(12-21(17)30-28(19)34)25-13-15-4-1-2-7-24(15)35-25;29-21-8-5-14(11-23(21)31)13-4-6-15-17(26(34)28-19(15)10-13)12-20-16(7-9-24(32)33)25-18(27-20)2-1-3-22(25)30/h3-4,6,9-11,14-16,31H,2,5,7-8,12-13H2,1H3,(H,32,35);7-9,11,13-15,30,32H,3-6,10,12H2,1-2H3,(H,31,35);6-8,10,12-14,29,31,33H,2-5,9,11H2,1H3,(H,30,35);1-2,4,7-9,12-14,29H,3,5-6,10-11H2,(H,30,34)(H,32,33);4-6,8,10-12,27,29,31H,1-3,7,9H2,(H,28,34)(H,32,33).

What are the key properties of 3-[2-[[6-(1-benzothiophen-2-yl)-2-oxo-1H-indol-3-ylidene]methyl]-4-oxo-1,5,6,7-tetrahydroindol-3-yl]propanoic acid;3-[2-[[6-(3,4-dihydroxyphenyl)-2-oxo-1H-indol-3-ylidene]methyl]-4-oxo-1,5,6,7-tetrahydroindol-3-yl]propanoic acid;ethyl 3-[2-[[6-(1-benzothiophen-2-yl)-2-oxo-1H-indol-3-ylidene]methyl]-4-oxo-1,5,6,7-tetrahydroindol-3-yl]propanoate;ethyl 3-[2-[[6-(3,4-dihydroxyphenyl)-2-oxo-1H-indol-3-ylidene]methyl]-4-oxo-1,5,6,7-tetrahydroindol-3-yl]propanoate;ethyl 3-[2-[[6-(4-hydroxy-3-methoxyphenyl)-2-oxo-1H-indol-3-ylidene]methyl]-4-oxo-1,5,6,7-tetrahydroindol-3-yl]propanoate?

3-[2-[[6-(1-benzothiophen-2-yl)-2-oxo-1H-indol-3-ylidene]methyl]-4-oxo-1,5,6,7-tetrahydroindol-3-yl]propanoic acid;3-[2-[[6-(3,4-dihydroxyphenyl)-2-oxo-1H-indol-3-ylidene]methyl]-4-oxo-1,5,6,7-tetrahydroindol-3-yl]propanoic acid;ethyl 3-[2-[[6-(1-benzothiophen-2-yl)-2-oxo-1H-indol-3-ylidene]methyl]-4-oxo-1,5,6,7-tetrahydroindol-3-yl]propanoate;ethyl 3-[2-[[6-(3,4-dihydroxyphenyl)-2-oxo-1H-indol-3-ylidene]methyl]-4-oxo-1,5,6,7-tetrahydroindol-3-yl]propanoate;ethyl 3-[2-[[6-(4-hydroxy-3-methoxyphenyl)-2-oxo-1H-indol-3-ylidene]methyl]-4-oxo-1,5,6,7-tetrahydroindol-3-yl]propanoate has a molecular weight of 2438.72 g/mol, XLogP of 25.95, 29 rotatable bonds, 17 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-[[6-(1-benzothiophen-2-yl)-2-oxo-1H-indol-3-ylidene]methyl]-4-oxo-1,5,6,7-tetrahydroindol-3-yl]propanoic acid;3-[2-[[6-(3,4-dihydroxyphenyl)-2-oxo-1H-indol-3-ylidene]methyl]-4-oxo-1,5,6,7-tetrahydroindol-3-yl]propanoic acid;ethyl 3-[2-[[6-(1-benzothiophen-2-yl)-2-oxo-1H-indol-3-ylidene]methyl]-4-oxo-1,5,6,7-tetrahydroindol-3-yl]propanoate;ethyl 3-[2-[[6-(3,4-dihydroxyphenyl)-2-oxo-1H-indol-3-ylidene]methyl]-4-oxo-1,5,6,7-tetrahydroindol-3-yl]propanoate;ethyl 3-[2-[[6-(4-hydroxy-3-methoxyphenyl)-2-oxo-1H-indol-3-ylidene]methyl]-4-oxo-1,5,6,7-tetrahydroindol-3-yl]propanoate is sourced from PubChem (CID 173111854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).