(2-phenyl-1,3-thiazol-4-yl)methyl 1-oxidanidylpyridin-1-ium-4-carboxylate

Systemtic Name: (2-phenyl-1,3-thiazol-4-yl)methyl 1-oxidanidylpyridin-1-ium-4-carboxylate Openeye Name: (2-phenylthiazol-4-yl)methyl 1-oxidopyridin-1-ium-4-carboxylate CAS Name: 1-oxido-4-pyridin-1-iumcarboxylic acid (2-phenyl-4-thiazolyl)methyl ester IUPAC Name: (2-phenyl-1,3-thiazol-4-yl)methyl 1-oxidopyridin-1-ium-4-carboxylate Traditional Name: 1-oxidopyridin-1-ium-4-carboxylic acid (2-phenylthiazol-4-yl)methyl ester Formula: C16H12N2O3S MolecularWeight: 312.34308

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=CS2)COC(=O)C3=CC=[N+](C=C3)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=CS2)COC(=O)C3=CC=[N+](C=C3)[O-]

InChI

InChI=1S/C16H12N2O3S/c19-16(13-6-8-18(20)9-7-13)21-10-14-11-22-15(17-14)12-4-2-1-3-5-12/h1-9,11H,10H2