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

Systemtic Name: 4-[[2-(pyridin-3-ylcarbonylamino)-1,3-thiazol-4-yl]carbonylamino]butanoate Openeye Name: 4-[[2-(pyridine-3-carbonylamino)thiazole-4-carbonyl]amino]butanoate CAS Name: 4-[[oxo-[2-[[oxo(3-pyridinyl)methyl]amino]-4-thiazolyl]methyl]amino]butanoate IUPAC Name: 4-[[2-(pyridine-3-carbonylamino)-1,3-thiazole-4-carbonyl]amino]butanoate Traditional Name: 4-[(2-nicotinamidothiazole-4-carbonyl)amino]butyrate Formula: C14H13N4O4S- MolecularWeight: 333.34242

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14N4O4S/c19-11(20)4-2-6-16-13(22)10-8-23-14(17-10)18-12(21)9-3-1-5-15-7-9/h1,3,5,7-8H,2,4,6H2,(H,16,22)(H,19,20)(H,17,18,21)/p-1