[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl] 5-bromanylpyridine-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl] 5-bromanylpyridine-3-carboxylate Openeye Name: [2-oxo-2-(2-thienylmethylamino)ethyl] 5-bromopyridine-3-carboxylate CAS Name: 5-bromo-3-pyridinecarboxylic acid [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 5-bromopyridine-3-carboxylate Traditional Name: 5-bromonicotinic acid [2-keto-2-(2-thenylamino)ethyl] ester Formula: C13H11BrN2O3S MolecularWeight: 355.20704

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)CNC(=O)COC(=O)C2=CC(=CN=C2)Br

Isomeric SMILES

C1=CSC(=C1)CNC(=O)COC(=O)C2=CC(=CN=C2)Br

InChI

InChI=1S/C13H11BrN2O3S/c14-10-4-9(5-15-6-10)13(18)19-8-12(17)16-7-11-2-1-3-20-11/h1-6H,7-8H2,(H,16,17)