5-(methylamino)-3-propyl-1,2-thiazole-4-carboxylate

Systemtic Name: 5-(methylamino)-3-propyl-1,2-thiazole-4-carboxylate Openeye Name: 5-(methylamino)-3-propyl-isothiazole-4-carboxylate CAS Name: 5-(methylamino)-3-propyl-4-isothiazolecarboxylate IUPAC Name: 5-(methylamino)-3-propyl-1,2-thiazole-4-carboxylate Traditional Name: 5-(methylamino)-3-propyl-isothiazole-4-carboxylate Formula: C8H11N2O2S- MolecularWeight: 199.25014

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NSC(=C1C(=O)[O-])NC

Isomeric SMILES

CCCC1=NSC(=C1C(=O)[O-])NC

InChI

InChI=1S/C8H12N2O2S/c1-3-4-5-6(8(11)12)7(9-2)13-10-5/h9H,3-4H2,1-2H3,(H,11,12)/p-1