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

Systemtic Name: (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 1-oxidanidylpyridin-1-ium-2-carboxylate Openeye Name: [5-(2-thienyl)isoxazol-3-yl]methyl 1-oxidopyridin-1-ium-2-carboxylate CAS Name: 1-oxido-2-pyridin-1-iumcarboxylic acid (5-thiophen-2-yl-3-isoxazolyl)methyl ester IUPAC Name: (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 1-oxidopyridin-1-ium-2-carboxylate Traditional Name: 1-oxidopyridin-1-ium-2-carboxylic acid [5-(2-thienyl)isoxazol-3-yl]methyl ester Formula: C14H10N2O4S MolecularWeight: 302.3052

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C(=C1)C(=O)OCC2=NOC(=C2)C3=CC=CS3)[O-]

Isomeric SMILES

C1=CC=[N+](C(=C1)C(=O)OCC2=NOC(=C2)C3=CC=CS3)[O-]

InChI

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