[2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl] 5-bromanylpyridine-3-carboxylate

Systemtic Name: [2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl] 5-bromanylpyridine-3-carboxylate Openeye Name: [2-(1,3-benzothiazol-2-ylamino)-2-oxo-ethyl] 5-bromopyridine-3-carboxylate CAS Name: 5-bromo-3-pyridinecarboxylic acid [2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl] 5-bromopyridine-3-carboxylate Traditional Name: 5-bromonicotinic acid [2-(1,3-benzothiazol-2-ylamino)-2-keto-ethyl] ester Formula: C15H10BrN3O3S MolecularWeight: 392.2272

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)NC(=O)COC(=O)C3=CC(=CN=C3)Br

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)NC(=O)COC(=O)C3=CC(=CN=C3)Br

InChI

InChI=1S/C15H10BrN3O3S/c16-10-5-9(6-17-7-10)14(21)22-8-13(20)19-15-18-11-3-1-2-4-12(11)23-15/h1-7H,8H2,(H,18,19,20)