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Details

Stereochemistry ACHIRAL
Molecular Formula C24H27N3O5S
Molecular Weight 469.553
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of ABT-072

SMILES

COC1=C(C=C(C=C1\C=C\C2=CC=C(NS(C)(=O)=O)C=C2)N3C=CC(=O)NC3=O)C(C)(C)C

InChI

InChIKey=XMZSTQYSBYEENY-RMKNXTFCSA-N
InChI=1S/C24H27N3O5S/c1-24(2,3)20-15-19(27-13-12-21(28)25-23(27)29)14-17(22(20)32-4)9-6-16-7-10-18(11-8-16)26-33(5,30)31/h6-15,26H,1-5H3,(H,25,28,29)/b9-6+

HIDE SMILES / InChI

Molecular Formula C24H27N3O5S
Molecular Weight 469.553
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
PSQ4R5K1QI
Record Status Validated (UNII)
Record Version