[1-oxidanylidene-1-(thiophen-2-ylmethylamino)propan-2-yl] 4-bromanyl-1H-pyrrole-2-carboxylate

Systemtic Name: [1-oxidanylidene-1-(thiophen-2-ylmethylamino)propan-2-yl] 4-bromanyl-1H-pyrrole-2-carboxylate Openeye Name: [1-methyl-2-oxo-2-(2-thienylmethylamino)ethyl] 4-bromo-1H-pyrrole-2-carboxylate CAS Name: 4-bromo-1H-pyrrole-2-carboxylic acid [1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 4-bromo-1H-pyrrole-2-carboxylate Traditional Name: 4-bromo-1H-pyrrole-2-carboxylic acid [2-keto-1-methyl-2-(2-thenylamino)ethyl] ester Formula: C13H13BrN2O3S MolecularWeight: 357.22292

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CS1)OC(=O)C2=CC(=CN2)Br

Isomeric SMILES

CC(C(=O)NCC1=CC=CS1)OC(=O)C2=CC(=CN2)Br

InChI

InChI=1S/C13H13BrN2O3S/c1-8(12(17)16-7-10-3-2-4-20-10)19-13(18)11-5-9(14)6-15-11/h2-6,8,15H,7H2,1H3,(H,16,17)