ethyl 4-(2-fluorophenyl)-2-methyl-5-[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethanoyl]-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 4-(2-fluorophenyl)-2-methyl-5-[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethanoyl]-1H-pyrrole-3-carboxylate Openeye Name: ethyl 4-(2-fluorophenyl)-2-methyl-5-[2-oxo-2-(2-thienylmethylamino)acetyl]-1H-pyrrole-3-carboxylate CAS Name: 5-[1,2-dioxo-2-(thiophen-2-ylmethylamino)ethyl]-4-(2-fluorophenyl)-2-methyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-fluorophenyl)-2-methyl-5-[2-oxo-2-(thiophen-2-ylmethylamino)acetyl]-1H-pyrrole-3-carboxylate Traditional Name: 4-(2-fluorophenyl)-5-[2-keto-2-(2-thenylamino)acetyl]-2-methyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C21H19FN2O4S MolecularWeight: 414.449963

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C2=CC=CC=C2F)C(=O)C(=O)NCC3=CC=CS3)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C2=CC=CC=C2F)C(=O)C(=O)NCC3=CC=CS3)C

InChI

InChI=1S/C21H19FN2O4S/c1-3-28-21(27)16-12(2)24-18(17(16)14-8-4-5-9-15(14)22)19(25)20(26)23-11-13-7-6-10-29-13/h4-10,24H,3,11H2,1-2H3,(H,23,26)