5-(butylamino)-1,3-thiazole-4-carboxylic acid

Systemtic Name: 5-(butylamino)-1,3-thiazole-4-carboxylic acid Openeye Name: 5-(butylamino)thiazole-4-carboxylic acid CAS Name: 5-(butylamino)-4-thiazolecarboxylic acid IUPAC Name: 5-(butylamino)-1,3-thiazole-4-carboxylic acid Traditional Name: 5-(butylamino)thiazole-4-carboxylic acid Formula: C8H12N2O2S MolecularWeight: 200.25808

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C(N=CS1)C(=O)O

Isomeric SMILES

CCCCNC1=C(N=CS1)C(=O)O

InChI

InChI=1S/C8H12N2O2S/c1-2-3-4-9-7-6(8(11)12)10-5-13-7/h5,9H,2-4H2,1H3,(H,11,12)