3-[[2-(pyridin-4-ylcarbonylamino)-1,3-thiazol-4-yl]carbonylamino]propanoate

Systemtic Name: 3-[[2-(pyridin-4-ylcarbonylamino)-1,3-thiazol-4-yl]carbonylamino]propanoate Openeye Name: 3-[[2-(pyridine-4-carbonylamino)thiazole-4-carbonyl]amino]propanoate CAS Name: 3-[[oxo-[2-[[oxo(pyridin-4-yl)methyl]amino]-4-thiazolyl]methyl]amino]propanoate IUPAC Name: 3-[[2-(pyridine-4-carbonylamino)-1,3-thiazole-4-carbonyl]amino]propanoate Traditional Name: 3-[(2-isonicotinamidothiazole-4-carbonyl)amino]propionate Formula: C13H11N4O4S- MolecularWeight: 319.31584

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=CC=C1C(=O)NC2=NC(=CS2)C(=O)NCCC(=O)[O-]

Isomeric SMILES

C1=CN=CC=C1C(=O)NC2=NC(=CS2)C(=O)NCCC(=O)[O-]

InChI

InChI=1S/C13H12N4O4S/c18-10(19)3-6-15-12(21)9-7-22-13(16-9)17-11(20)8-1-4-14-5-2-8/h1-2,4-5,7H,3,6H2,(H,15,21)(H,18,19)(H,16,17,20)/p-1