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Oprea1_866721,ZINC00648345,IVK/1009738,AK-968/41018241, methyl,2-[[2-(

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摘 要:Oprea1_866721,ZINC00648345,IVK/1009738,AK-968/41018241, methyl,2-[[2-(2,6-dichlorophenyl)acetyl]amino]-5-ethylthiophene-3-carboxylate,Canonical SMILES: CCC1=CC(=C(S1)NC(=O)CC2=C(C=CC=C2Cl)Cl)C(=O)OC,InChI: InChI=1/C16H15Cl2NO3S/c1-3-9-7-11(16(21)22-2
[Synonyms]
Oprea1_866721
ZINC00648345
IVK/1009738
AK-968/41018241

[Structure]
Oprea1_866721,ZINC00648345,IVK/1009738,AK-968/41018241, methyl,2-[[2-(

[ Properties Computed from Structure]
Molecular Weight372.2662 [g/mol]
Molecular FormulaC16H15Cl2NO3S
XLogP3.9
H-Bond Donor1
H-Bond Acceptor3
Rotatable Bond Count6
Tautomer Count4
Exact Mass371.014969
MonoIsotopic Mass371.014969
Topological Polar Surface Area55.4
Heavy Atom Count23
Formal Charge0
Complexity428
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: methyl
2-[[2-(2,6-dichlorophenyl)acetyl]amino]-5-ethylthiophene-3-carboxylate
Canonical SMILES: CCC1=CC(=C(S1)NC(=O)CC2=C(C=CC=C2Cl)Cl)C(=O)OC
InChI: InChI=1/C16H15Cl2NO3S/c1-3-9-7-11(16(21)22-2)15(23-9)19-14(20)8-10-12
(17)5-4-6-13(10)18/h4-7H,3,8H2,1-2H3,(H,19,20)/f/h19H

 
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