[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl] 1-(4-fluorophenyl)-2,5-dimethyl-pyrrole-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl] 1-(4-fluorophenyl)-2,5-dimethyl-pyrrole-3-carboxylate Openeye Name: [2-oxo-2-(2-thienylmethylamino)ethyl] 1-(4-fluorophenyl)-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 1-(4-fluorophenyl)-2,5-dimethyl-3-pyrrolecarboxylic acid [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carboxylate Traditional Name: 1-(4-fluorophenyl)-2,5-dimethyl-pyrrole-3-carboxylic acid [2-keto-2-(2-thenylamino)ethyl] ester Formula: C20H19FN2O3S MolecularWeight: 386.439863

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)F)C)C(=O)OCC(=O)NCC3=CC=CS3

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)F)C)C(=O)OCC(=O)NCC3=CC=CS3

InChI

InChI=1S/C20H19FN2O3S/c1-13-10-18(14(2)23(13)16-7-5-15(21)6-8-16)20(25)26-12-19(24)22-11-17-4-3-9-27-17/h3-10H,11-12H2,1-2H3,(H,22,24)