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(2E)-2-[(2Z)-2-(2-morpholin-4-yl-2-oxoethylidene)-4-oxo-1,,3-thiazoli

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摘 要: (2E)-2-[(2Z)-2-(2-morpholin-4-yl-2-oxoethylidene)-4-oxo-1,,3-thiazolidin-5-ylidene]acetate,Canonical SMILES: C1COCCN1C(=O)C=C2NC(=O)C(=CC(=O)[O-])S2,Isomeric SMILES: C1COCCN1C(=O)\C=C/2\NC(=O)/C(=C\C(=O)[O-])/S2,InChI: InChI=1/C11H12N2O5S/c14-9(13-1
[Synonyms]

[Structure]
 (2E)-2-[(2Z)-2-(2-morpholin-4-yl-2-oxoethylidene)-4-oxo-1,,3-thiazoli

[ Properties Computed from Structure]
Molecular Weight283.28044 [g/mol]
Molecular FormulaC11H11N2O5S-
H-Bond Donor1
H-Bond Acceptor5
Rotatable Bond Count1
Tautomer Count4
Exact Mass283.038867
MonoIsotopic Mass283.038867
Topological Polar Surface Area98.8
Heavy Atom Count19
Formal Charge-1
Complexity474
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count2
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: (2E)-2-[(2Z)-2-(2-morpholin-4-yl-2-oxoethylidene)-4-oxo-1,
3-thiazolidin-5-ylidene]acetate
Canonical SMILES: C1COCCN1C(=O)C=C2NC(=O)C(=CC(=O)[O-])S2
Isomeric SMILES: C1COCCN1C(=O)\C=C/2\NC(=O)/C(=C\C(=O)[O-])/S2
InChI: InChI=1/C11H12N2O5S/c14-9(13-1-3-18-4-2-13)6-8-12-11(17)7(19-8)5-10(15)
16/h5-6H,1-4H2,(H,12,17)(H,15,16)/p-1/b7-5+,8-6-/fC11H11N2O5S/h12H/q-1

 
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