2-cyanoethanoate; 4,5-dihydro-1,3-thiazol-3-ium-2-amine

Systemtic Name: 2-cyanoethanoate; 4,5-dihydro-1,3-thiazol-3-ium-2-amine Openeye Name: 2-cyanoacetate; 4,5-dihydrothiazol-3-ium-2-amine CAS Name: 2-cyanoacetate; 4,5-dihydrothiazol-3-ium-2-amine IUPAC Name: 2-cyanoacetate; 4,5-dihydro-1,3-thiazol-3-ium-2-amine Traditional Name: 2-cyanoacetate; 2-thiazolin-3-ium-2-ylamine Formula: C6H9N3O2S MolecularWeight: 187.21956

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(=[NH+]1)N.C(C#N)C(=O)[O-]

Isomeric SMILES

C1CSC(=[NH+]1)N.C(C#N)C(=O)[O-]

InChI

InChI=1S/C3H6N2S.C3H3NO2/c4-3-5-1-2-6-3;4-2-1-3(5)6/h1-2H2,(H2,4,5);1H2,(H,5,6)