3-methyl-1,2-thiazole-5-carboxylate; propan-2-ylazanium

Systemtic Name: 3-methyl-1,2-thiazole-5-carboxylate; propan-2-ylazanium Openeye Name: isopropylammonium; 3-methylisothiazole-5-carboxylate CAS Name: 3-methyl-5-isothiazolecarboxylate; propan-2-ylammonium IUPAC Name: 3-methyl-1,2-thiazole-5-carboxylate; propan-2-ylazanium Traditional Name: isopropylammonium; 3-methylisothiazole-5-carboxylate Formula: C8H14N2O2S MolecularWeight: 202.27396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NSC(=C1)C(=O)[O-].CC(C)[NH3+]

Isomeric SMILES

CC1=NSC(=C1)C(=O)[O-].CC(C)[NH3+]

InChI

InChI=1S/C5H5NO2S.C3H9N/c1-3-2-4(5(7)8)9-6-3;1-3(2)4/h2H,1H3,(H,7,8);3H,4H2,1-2H3