2-(azaniumylmethyl)-1,3-thiazole-4-carboxylate

Systemtic Name: 2-(azaniumylmethyl)-1,3-thiazole-4-carboxylate Openeye Name: 2-(azaniumylmethyl)thiazole-4-carboxylate CAS Name: 2-(ammoniomethyl)-4-thiazolecarboxylate IUPAC Name: 2-(azaniumylmethyl)-1,3-thiazole-4-carboxylate Traditional Name: 2-(ammoniomethyl)thiazole-4-carboxylate Formula: C5H6N2O2S MolecularWeight: 158.17834

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(N=C(S1)C[NH3+])C(=O)[O-]

Isomeric SMILES

C1=C(N=C(S1)C[NH3+])C(=O)[O-]

InChI

InChI=1S/C5H6N2O2S/c6-1-4-7-3(2-10-4)5(8)9/h2H,1,6H2,(H,8,9)