Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C17H12N3O4S2.Na |
| Molecular Weight | 409.415 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[Na+].CC1=CC=C2N=C(SC2=C1S([O-])(=O)=O)C3=CC=C(NC(=O)CC#N)C=C3
InChI
InChIKey=FVBBIANRIRKAOK-UHFFFAOYSA-M
InChI=1S/C17H13N3O4S2.Na/c1-10-2-7-13-15(16(10)26(22,23)24)25-17(20-13)11-3-5-12(6-4-11)19-14(21)8-9-18;/h2-7H,8H2,1H3,(H,19,21)(H,22,23,24);/q;+1/p-1
Approval Year
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| Code System | Code | Type | Description | ||
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9L2FZQ429F
Created by
admin on Sat Dec 16 12:01:55 UTC 2023 , Edited by admin on Sat Dec 16 12:01:55 UTC 2023
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6764-27-8
Created by
admin on Sat Dec 16 12:01:55 UTC 2023 , Edited by admin on Sat Dec 16 12:01:55 UTC 2023
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DTXSID5064469
Created by
admin on Sat Dec 16 12:01:55 UTC 2023 , Edited by admin on Sat Dec 16 12:01:55 UTC 2023
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23679262
Created by
admin on Sat Dec 16 12:01:55 UTC 2023 , Edited by admin on Sat Dec 16 12:01:55 UTC 2023
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229-823-5
Created by
admin on Sat Dec 16 12:01:55 UTC 2023 , Edited by admin on Sat Dec 16 12:01:55 UTC 2023
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PRIMARY |
PARENT (SALT/SOLVATE)
![Structure of 2-[4-[(2-Cyanoacetyl)amino]phenyl]-6-methyl-7-benzothiazolesulfonic acid](/img/3c65b78f-f346-4bbb-a8f1-04bc08104f60.svg "Structure of 2-[4-[(2-Cyanoacetyl)amino]phenyl]-6-methyl-7-benzothiazolesulfonic acid")
![Structure of Sodium 2-[4-(2-cyanoacetamido)phenyl]-6-methylbenzothiazole-7-sulfonate](/img/605def69-3478-4c58-9393-d2e0fd9d3e12.svg "Structure of Sodium 2-[4-(2-cyanoacetamido)phenyl]-6-methylbenzothiazole-7-sulfonate")