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ethyl,2-[(2-hydroxyphenyl)methylideneamino]-6-methyl-5,7-dihydro-4H-t

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摘 要: ethyl,2-[(2-hydroxyphenyl)methylideneamino]-6-methyl-5,7-dihydro-4H-thieno[5,,4-c]pyridine-3-carboxylate,Canonical SMILES: CCOC(=O)C1=C(SC2=C1CCN(C2)C)N=CC3=CC=CC=C3O,InChI: InChI=1/C18H20N2O3S/c1-3-23-18(22)16-13-8-9-20(2)11-15(13)24-17(16)19-,10-1
[Synonyms]

[Structure]
 ethyl,2-[(2-hydroxyphenyl)methylideneamino]-6-methyl-5,7-dihydro-4H-t

[ Properties Computed from Structure]
Molecular Weight344.428 [g/mol]
Molecular FormulaC18H20N2O3S
XLogP1.8
H-Bond Donor1
H-Bond Acceptor5
Rotatable Bond Count5
Tautomer Count6
Exact Mass344.119463
MonoIsotopic Mass344.119463
Topological Polar Surface Area62.1
Heavy Atom Count24
Formal Charge0
Complexity473
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count1
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: ethyl
2-[(2-hydroxyphenyl)methylideneamino]-6-methyl-5,7-dihydro-4H-thieno[5,
4-c]pyridine-3-carboxylate
Canonical SMILES: CCOC(=O)C1=C(SC2=C1CCN(C2)C)N=CC3=CC=CC=C3O
InChI: InChI=1/C18H20N2O3S/c1-3-23-18(22)16-13-8-9-20(2)11-15(13)24-17(16)19-
10-12-6-4-5-7-14(12)21/h4-7,10,21H,3,8-9,11H2,1-2H3/b19-10+

 
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