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

Systemtic Name: 2-(3-methylbutylamino)-1,3-thiazole-4-carboxylate Openeye Name: 2-(isopentylamino)thiazole-4-carboxylate CAS Name: 2-(3-methylbutylamino)-4-thiazolecarboxylate IUPAC Name: 2-(3-methylbutylamino)-1,3-thiazole-4-carboxylate Traditional Name: 2-(isoamylamino)thiazole-4-carboxylate Formula: C9H13N2O2S- MolecularWeight: 213.27672

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC1=NC(=CS1)C(=O)[O-]

Isomeric SMILES

CC(C)CCNC1=NC(=CS1)C(=O)[O-]

InChI

InChI=1S/C9H14N2O2S/c1-6(2)3-4-10-9-11-7(5-14-9)8(12)13/h5-6H,3-4H2,1-2H3,(H,10,11)(H,12,13)/p-1