[2-oxidanylidene-2-(thiophen-2-ylmethylcarbamoylamino)ethyl] 1H-pyrrole-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-(thiophen-2-ylmethylcarbamoylamino)ethyl] 1H-pyrrole-2-carboxylate Openeye Name: [2-oxo-2-(2-thienylmethylcarbamoylamino)ethyl] 1H-pyrrole-2-carboxylate CAS Name: 1H-pyrrole-2-carboxylic acid [2-oxo-2-[[oxo-(thiophen-2-ylmethylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(thiophen-2-ylmethylcarbamoylamino)ethyl] 1H-pyrrole-2-carboxylate Traditional Name: 1H-pyrrole-2-carboxylic acid [2-keto-2-(2-thenylcarbamoylamino)ethyl] ester Formula: C13H13N3O4S MolecularWeight: 307.32502

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Descriptors Computed from Structure

Canonical SMILES:

C1=CNC(=C1)C(=O)OCC(=O)NC(=O)NCC2=CC=CS2

Isomeric SMILES

C1=CNC(=C1)C(=O)OCC(=O)NC(=O)NCC2=CC=CS2

InChI

InChI=1S/C13H13N3O4S/c17-11(8-20-12(18)10-4-1-5-14-10)16-13(19)15-7-9-3-2-6-21-9/h1-6,14H,7-8H2,(H2,15,16,17,19)