(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 1-oxidanidylpyridin-1-ium-2-carboxylate

Systemtic Name: (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 1-oxidanidylpyridin-1-ium-2-carboxylate Openeye Name: [2-(2-thienyl)oxazol-4-yl]methyl 1-oxidopyridin-1-ium-2-carboxylate CAS Name: 1-oxido-2-pyridin-1-iumcarboxylic acid (2-thiophen-2-yl-4-oxazolyl)methyl ester IUPAC Name: (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 1-oxidopyridin-1-ium-2-carboxylate Traditional Name: 1-oxidopyridin-1-ium-2-carboxylic acid [2-(2-thienyl)oxazol-4-yl]methyl ester Formula: C14H10N2O4S MolecularWeight: 302.3052

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C(=C1)C(=O)OCC2=COC(=N2)C3=CC=CS3)[O-]

Isomeric SMILES

C1=CC=[N+](C(=C1)C(=O)OCC2=COC(=N2)C3=CC=CS3)[O-]

InChI

InChI=1S/C14H10N2O4S/c17-14(11-4-1-2-6-16(11)18)20-9-10-8-19-13(15-10)12-5-3-7-21-12/h1-8H,9H2