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

Systemtic Name: 3-methyl-5-(propylamino)-1,2-thiazole-4-carboxylic acid Openeye Name: 3-methyl-5-(propylamino)isothiazole-4-carboxylic acid CAS Name: 3-methyl-5-(propylamino)-4-isothiazolecarboxylic acid IUPAC Name: 3-methyl-5-(propylamino)-1,2-thiazole-4-carboxylic acid Traditional Name: 3-methyl-5-(propylamino)isothiazole-4-carboxylic acid Formula: C8H12N2O2S MolecularWeight: 200.25808

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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)