1,3-benzothiazol-2-ylmethyl 1-oxidanidylpyridin-1-ium-2-carboxylate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 1-oxidanidylpyridin-1-ium-2-carboxylate Openeye Name: 1,3-benzothiazol-2-ylmethyl 1-oxidopyridin-1-ium-2-carboxylate CAS Name: 1-oxido-2-pyridin-1-iumcarboxylic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 1-oxidopyridin-1-ium-2-carboxylate Traditional Name: 1-oxidopyridin-1-ium-2-carboxylic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C14H10N2O3S MolecularWeight: 286.3058

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)COC(=O)C3=CC=CC=[N+]3[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)COC(=O)C3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C14H10N2O3S/c17-14(11-6-3-4-8-16(11)18)19-9-13-15-10-5-1-2-7-12(10)20-13/h1-8H,9H2