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Details

Stereochemistry EPIMERIC
Molecular Formula C13H16N2O4S
Molecular Weight 296.342
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DUP-105

SMILES

C[S+]([O-])C1=CC=C(C=C1)N2C[C@H](CNC(C)=O)OC2=O

InChI

InChIKey=RYTTWOVTZKVWTO-ZOZMEPSFSA-N
InChI=1S/C13H16N2O4S/c1-9(16)14-7-11-8-15(13(17)19-11)10-3-5-12(6-4-10)20(2)18/h3-6,11H,7-8H2,1-2H3,(H,14,16)/t11-,20?/m0/s1

HIDE SMILES / InChI

Molecular Formula C13H16N2O4S
Molecular Weight 296.342
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 1 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
DYQQGUHGVT
Record Status Validated (UNII)
Record Version