3-methyl-5-(propanoylamino)-1,2-thiazole-4-carboxylic acid

Systemtic Name: 3-methyl-5-(propanoylamino)-1,2-thiazole-4-carboxylic acid Openeye Name: 3-methyl-5-(propanoylamino)isothiazole-4-carboxylic acid CAS Name: 3-methyl-5-(1-oxopropylamino)-4-isothiazolecarboxylic acid IUPAC Name: 3-methyl-5-(propanoylamino)-1,2-thiazole-4-carboxylic acid Traditional Name: 3-methyl-5-propionamido-isothiazole-4-carboxylic acid Formula: C8H10N2O3S MolecularWeight: 214.2416

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=C(C(=NS1)C)C(=O)O

Isomeric SMILES

CCC(=O)NC1=C(C(=NS1)C)C(=O)O

InChI

InChI=1S/C8H10N2O3S/c1-3-5(11)9-7-6(8(12)13)4(2)10-14-7/h3H2,1-2H3,(H,9,11)(H,12,13)