N-(4,5-dihydro-1,2-oxazol-3-yl)-2-[[2-(2-oxidanylethanoylamino)pyridin-4-yl]methylsulfanyl]pyridine-3-carboxamide

Systemtic Name: N-(4,5-dihydro-1,2-oxazol-3-yl)-2-[[2-(2-oxidanylethanoylamino)pyridin-4-yl]methylsulfanyl]pyridine-3-carboxamide Openeye Name: N-(4,5-dihydroisoxazol-3-yl)-2-[[2-[(2-hydroxyacetyl)amino]-4-pyridyl]methylsulfanyl]pyridine-3-carboxamide CAS Name: N-(4,5-dihydroisoxazol-3-yl)-2-[[2-[(2-hydroxy-1-oxoethyl)amino]-4-pyridinyl]methylthio]-3-pyridinecarboxamide IUPAC Name: N-(4,5-dihydro-1,2-oxazol-3-yl)-2-[[2-[(2-hydroxyacetyl)amino]pyridin-4-yl]methylsulfanyl]pyridine-3-carboxamide Traditional Name: 2-[[2-(glycoloylamino)-4-pyridyl]methylthio]-N-(2-isoxazolin-3-yl)nicotinamide Formula: C17H17N5O4S MolecularWeight: 387.41298

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Descriptors Computed from Structure

Canonical SMILES:

C1CON=C1NC(=O)C2=C(N=CC=C2)SCC3=CC(=NC=C3)NC(=O)CO

Isomeric SMILES

C1CON=C1NC(=O)C2=C(N=CC=C2)SCC3=CC(=NC=C3)NC(=O)CO

InChI

InChI=1S/C17H17N5O4S/c23-9-15(24)20-14-8-11(3-6-18-14)10-27-17-12(2-1-5-19-17)16(25)21-13-4-7-26-22-13/h1-3,5-6,8,23H,4,7,9-10H2,(H,18,20,24)(H,21,22,25)