Account Anticancer agent 105
- Catalog No. :
- ACOLTT265
- CAS No. :
- 2450987-57-0
- Molecular Formula :
- C25H24KN3O6S
- Molecular Weight :
- 533.65
IUPAC Name:potassium (2Z,4Z)-1-amino-2-cyano-4-((3-(ethoxycarbonyl)-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)amino)-6-(4-methoxyphenyl)-1,6-dioxohexa-2,4-dien-3-olate
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Product Information
| Product Name | Anticancer agent 105 |
|---|---|
| IUPAC Name | potassium (2Z,4Z)-1-amino-2-cyano-4-((3-(ethoxycarbonyl)-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)amino)-6-(4-methoxyphenyl)-1,6-dioxohexa-2,4-dien-3-olate |
| Molecular Formula | C25H24KN3O6S |
| Molecular Weight | 533.65 |
| SMILES | O=C(C1=C(NC(/C([O-])=C(C#N)/C(N)=O)=C\C(C2=CC=C(OC)C=C2)=O)SC3=C1CCCC3)OCC.[K+] |
| InChI Key | YNTQHSIVXOWQKC-GGQHYGGTSA-M |
| Synonym | Anticancer agent 105;Benzo[b]thiophene-3-carboxylic acid, 2-[[(1Z,2Z)-4-amino-3-cyano-2-hydroxy-1-[2-(4-methoxyphenyl)-2-oxoethylidene]-4-oxo-2-buten-1-yl]amino]-4,5,6,7-tetrahydro-, ethyl ester, potassium salt (1:1) |
| CAS No. | 2450987-57-0 |
Synthetic Route by SureRoute
2. ACOLTT265 Molecular Building Block Synthetic Route
(E)-2-(4-(2-Cyano-3-((3-(ethoxycarbonyl)-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)amino)-3-oxoprop-1-en-1-yl)phenoxy)acetic acid
Ethyl 2-(2-(4-(benzyloxy)phenoxy)acetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
Anticancer agent 106