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2-(4-cyano-3-oxidanylidene-1,2-thiazol-5-yl)ethanoic acid

2-(4-cyano-3-oxidanylidene-1,2-thiazol-5-yl)ethanoic acid

Systemtic Name:2-(4-cyano-3-oxidanylidene-1,2-thiazol-5-yl)ethanoic acid
Openeye Name:2-(4-cyano-3-oxo-isothiazol-5-yl)acetic acid
CAS Name:2-(4-cyano-3-oxo-5-isothiazolyl)acetic acid
IUPAC Name:2-(4-cyano-3-oxo-1,2-thiazol-5-yl)acetic acid
Traditional Name:2-(4-cyano-3-keto-4-isothiazolin-5-yl)acetic acid
Formula: C6H4N2O3S
MolecularWeight: 184.17256
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Descriptors Computed from Structure

Canonical SMILES:

C(C1=C(C(=O)NS1)C#N)C(=O)O


Isomeric SMILES

C(C1=C(C(=O)NS1)C#N)C(=O)O


InChI

InChI=1S/C6H4N2O3S/c7-2-3-4(1-5(9)10)12-8-6(3)11/h1H2,(H,8,11)(H,9,10)


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