[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl 1-oxidanidylpyridin-1-ium-2-carboxylate

Systemtic Name: [2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl 1-oxidanidylpyridin-1-ium-2-carboxylate Openeye Name: [2-(2-chlorophenyl)thiazol-4-yl]methyl 1-oxidopyridin-1-ium-2-carboxylate CAS Name: 1-oxido-2-pyridin-1-iumcarboxylic acid [2-(2-chlorophenyl)-4-thiazolyl]methyl ester IUPAC Name: [2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl 1-oxidopyridin-1-ium-2-carboxylate Traditional Name: 1-oxidopyridin-1-ium-2-carboxylic acid [2-(2-chlorophenyl)thiazol-4-yl]methyl ester Formula: C16H11ClN2O3S MolecularWeight: 346.78814

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=NC(=CS2)COC(=O)C3=CC=CC=[N+]3[O-])Cl

Isomeric SMILES

C1=CC=C(C(=C1)C2=NC(=CS2)COC(=O)C3=CC=CC=[N+]3[O-])Cl

InChI

InChI=1S/C16H11ClN2O3S/c17-13-6-2-1-5-12(13)15-18-11(10-23-15)9-22-16(20)14-7-3-4-8-19(14)21/h1-8,10H,9H2