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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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