Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C16H16N2O4S |
| Molecular Weight | 332.374 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CC1=C(SC(=N1)C2=CC(C#N)=C(OCC(C)(C)O)C=C2)C(O)=O
InChI
InChIKey=FFDDWBJYRJGZQH-UHFFFAOYSA-N
InChI=1S/C16H16N2O4S/c1-9-13(15(19)20)23-14(18-9)10-4-5-12(11(6-10)7-17)22-8-16(2,3)21/h4-6,21H,8H2,1-3H3,(H,19,20)
| Molecular Formula | C16H16N2O4S |
| Molecular Weight | 332.374 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Thu Jul 06 14:27:27 UTC 2023
by
admin
on
Thu Jul 06 14:27:27 UTC 2023
|
| Record UNII |
L8Q1USE6C2
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
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Common Name | English |
| Code System | Code | Type | Description | ||
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11956739
Created by
admin on Thu Jul 06 14:27:27 UTC 2023 , Edited by admin on Thu Jul 06 14:27:27 UTC 2023
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PRIMARY | |||
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L8Q1USE6C2
Created by
admin on Thu Jul 06 14:27:27 UTC 2023 , Edited by admin on Thu Jul 06 14:27:27 UTC 2023
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PRIMARY | |||
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407582-47-2
Created by
admin on Thu Jul 06 14:27:27 UTC 2023 , Edited by admin on Thu Jul 06 14:27:27 UTC 2023
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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BINDER->LIGAND |
BINDING
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| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> METABOLITE ACTIVE |
FECAL
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