Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C23H21N3O5S |
Molecular Weight | 451.495 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 3 / 3 |
E/Z Centers | 0 |
Charge | 0 |
Stereo Comments | Assumed chiral |
SHOW SMILES / InChI
SMILES
[H][C@@]12SC(CC3=CC=CC=C3)=N[C@]1([H])C(=O)N2[C@H](C(C)=C)C(=O)OCC4=CC=C(C=C4)[N+]([O-])=O
InChI
InChIKey=VQOPKBVRTFJEKQ-KCZVDYSFSA-N
InChI=1S/C23H21N3O5S/c1-14(2)20(23(28)31-13-16-8-10-17(11-9-16)26(29)30)25-21(27)19-22(25)32-18(24-19)12-15-6-4-3-5-7-15/h3-11,19-20,22H,1,12-13H2,2H3/t19-,20-,22-/m1/s1
Molecular Formula | C23H21N3O5S |
Molecular Weight | 451.495 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 3 / 3 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 15:54:22 GMT 2023
by
admin
on
Fri Dec 15 15:54:22 GMT 2023
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Record UNII |
5WEOOHQ3XY
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Record Status |
Validated (UNII)
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Record Version |
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5WEOOHQ3XY
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50272-96-3
Created by
admin on Fri Dec 15 15:54:22 GMT 2023 , Edited by admin on Fri Dec 15 15:54:22 GMT 2023
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131635131
Created by
admin on Fri Dec 15 15:54:22 GMT 2023 , Edited by admin on Fri Dec 15 15:54:22 GMT 2023
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70896-92-3
Created by
admin on Fri Dec 15 15:54:22 GMT 2023 , Edited by admin on Fri Dec 15 15:54:22 GMT 2023
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