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

Systemtic Name: [1-oxidanylidene-1-(thiophen-2-ylmethylamino)propan-2-yl] 1-(4-fluorophenyl)-2,5-dimethyl-pyrrole-3-carboxylate Openeye Name: [1-methyl-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 [1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carboxylate Traditional Name: 1-(4-fluorophenyl)-2,5-dimethyl-pyrrole-3-carboxylic acid [2-keto-1-methyl-2-(2-thenylamino)ethyl] ester Formula: C21H21FN2O3S MolecularWeight: 400.466443

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21FN2O3S/c1-13-11-19(14(2)24(13)17-8-6-16(22)7-9-17)21(26)27-15(3)20(25)23-12-18-5-4-10-28-18/h4-11,15H,12H2,1-3H3,(H,23,25)