[2-oxidanylidene-2-(2-thiophen-2-ylethylamino)ethyl] 4-bromanyl-1H-pyrrole-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-(2-thiophen-2-ylethylamino)ethyl] 4-bromanyl-1H-pyrrole-2-carboxylate Openeye Name: [2-oxo-2-[2-(2-thienyl)ethylamino]ethyl] 4-bromo-1H-pyrrole-2-carboxylate CAS Name: 4-bromo-1H-pyrrole-2-carboxylic acid [2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 4-bromo-1H-pyrrole-2-carboxylate Traditional Name: 4-bromo-1H-pyrrole-2-carboxylic acid [2-keto-2-[2-(2-thienyl)ethylamino]ethyl] ester Formula: C13H13BrN2O3S MolecularWeight: 357.22292

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)CCNC(=O)COC(=O)C2=CC(=CN2)Br

Isomeric SMILES

C1=CSC(=C1)CCNC(=O)COC(=O)C2=CC(=CN2)Br

InChI

InChI=1S/C13H13BrN2O3S/c14-9-6-11(16-7-9)13(18)19-8-12(17)15-4-3-10-2-1-5-20-10/h1-2,5-7,16H,3-4,8H2,(H,15,17)