[2-[(6-bromanyl-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-2-carboxylate

Systemtic Name: [2-[(6-bromanyl-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-2-carboxylate Openeye Name: [2-[(6-bromo-1,3-benzothiazol-2-yl)amino]-2-oxo-ethyl] 1-oxidopyridin-1-ium-2-carboxylate CAS Name: 1-oxido-2-pyridin-1-iumcarboxylic acid [2-[(6-bromo-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(6-bromo-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 1-oxidopyridin-1-ium-2-carboxylate Traditional Name: 1-oxidopyridin-1-ium-2-carboxylic acid [2-[(6-bromo-1,3-benzothiazol-2-yl)amino]-2-keto-ethyl] ester Formula: C15H10BrN3O4S MolecularWeight: 408.2266

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C(=C1)C(=O)OCC(=O)NC2=NC3=C(S2)C=C(C=C3)Br)[O-]

Isomeric SMILES

C1=CC=[N+](C(=C1)C(=O)OCC(=O)NC2=NC3=C(S2)C=C(C=C3)Br)[O-]

InChI

InChI=1S/C15H10BrN3O4S/c16-9-4-5-10-12(7-9)24-15(17-10)18-13(20)8-23-14(21)11-3-1-2-6-19(11)22/h1-7H,8H2,(H,17,18,20)