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(2Z)-2-[(2Z)-2-(2-dimethylamino-2-oxoethylidene)-4-oxo-1,,3-thiazolid

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摘 要: (2Z)-2-[(2Z)-2-(2-dimethylamino-2-oxoethylidene)-4-oxo-1,,3-thiazolidin-5-ylidene]acetic acid,Canonical SMILES: CN(C)C(=O)C=C1NC(=O)C(=CC(=O)O)S1,Isomeric SMILES: CN(C)C(=O)\C=C/1\NC(=O)/C(=C/C(=O)O)/S1,InChI: InChI=1/C9H10N2O4S/c1-11(2)7(12)4-6-10-
[Synonyms]

[Structure]
 (2Z)-2-[(2Z)-2-(2-dimethylamino-2-oxoethylidene)-4-oxo-1,,3-thiazolid

[ Properties Computed from Structure]
Molecular Weight242.2517 [g/mol]
Molecular FormulaC9H10N2O4S
XLogP-0.8
H-Bond Donor2
H-Bond Acceptor4
Rotatable Bond Count2
Tautomer Count4
Exact Mass242.036128
MonoIsotopic Mass242.036128
Topological Polar Surface Area86.7
Heavy Atom Count16
Formal Charge0
Complexity412
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: (2Z)-2-[(2Z)-2-(2-dimethylamino-2-oxoethylidene)-4-oxo-1,
3-thiazolidin-5-ylidene]acetic acid
Canonical SMILES: CN(C)C(=O)C=C1NC(=O)C(=CC(=O)O)S1
Isomeric SMILES: CN(C)C(=O)\C=C/1\NC(=O)/C(=C/C(=O)O)/S1
InChI: InChI=1/C9H10N2O4S/c1-11(2)7(12)4-6-10-9(15)5(16-6)3-8(13)14/h3-4H,
1-2H3,(H,10,15)(H,13,14)/b5-3-,6-4-/f/h10,13H

 
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