[2-[(6-bromanyl-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-4-carboxylate

Systemtic Name: [2-[(6-bromanyl-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-4-carboxylate Openeye Name: [2-[(6-bromo-1,3-benzothiazol-2-yl)amino]-2-oxo-ethyl] 1-oxidopyridin-1-ium-4-carboxylate CAS Name: 1-oxido-4-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-4-carboxylate Traditional Name: 1-oxidopyridin-1-ium-4-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=CC2=C(C=C1Br)SC(=N2)NC(=O)COC(=O)C3=CC=[N+](C=C3)[O-]

Isomeric SMILES

C1=CC2=C(C=C1Br)SC(=N2)NC(=O)COC(=O)C3=CC=[N+](C=C3)[O-]

InChI

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