I+/--[(Acetyloxy)imino]-2-[(chlorocarbonyl)amino]-4-thiazoleacetic acid

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Basic information

CAS: 887577-47-1
Standard SMILES: CC(=O)ON=C(C(=O)O)c1csc(NC(=O)Cl)n1
InChIKey: TWCLBPVZPHAUHU-UHFFFAOYSA-N
Molecular formula: C8H6ClN3O5S
Average molar mass: 291.67 g/mol
Monoisotopic mass: 290.9716692

Names & identifiers

Preferred name: I+/--[(Acetyloxy)imino]-2-[(chlorocarbonyl)amino]-4-thiazoleacetic acid
IUPAC: 2-acetyloxyimino-2-[2-(carbonochloridoylamino)-1,3-thiazol-4-yl]acetic acid

Names & synonyms

DTXSID701158394[(Acetyloxy)imino]{2-[(chlorocarbonyl)amino]-1,3-thiazol-4-yl}acetic acidI+/--[(Acetyloxy)imino]-2-[(chlorocarbonyl)amino]-4-thiazoleacetic acid887577-47-1

Database identifiers

CAS: 887577-47-1
PubChem CID: 74600540
DTXSID: DTXSID701158394

Properties

Computed structural properties

XLogP: 1.6
Topological polar surface area: 146 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 8
Rotatable bonds: 5
Heavy atoms: 18
Formal charge: 0
Complexity: 402

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Compound notes

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