3-(methoxymethyl)-5-(propylamino)-1,2-thiazole-4-carboxylate

Systemtic Name: 3-(methoxymethyl)-5-(propylamino)-1,2-thiazole-4-carboxylate Openeye Name: 3-(methoxymethyl)-5-(propylamino)isothiazole-4-carboxylate CAS Name: 3-(methoxymethyl)-5-(propylamino)-4-isothiazolecarboxylate IUPAC Name: 3-(methoxymethyl)-5-(propylamino)-1,2-thiazole-4-carboxylate Traditional Name: 3-(methoxymethyl)-5-(propylamino)isothiazole-4-carboxylate Formula: C9H13N2O3S- MolecularWeight: 229.27612

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=C(C(=NS1)COC)C(=O)[O-]

Isomeric SMILES

CCCNC1=C(C(=NS1)COC)C(=O)[O-]

InChI

InChI=1S/C9H14N2O3S/c1-3-4-10-8-7(9(12)13)6(5-14-2)11-15-8/h10H,3-5H2,1-2H3,(H,12,13)/p-1