[2-[2-(2-fluorophenyl)ethylamino]-2-oxidanylidene-ethyl] 4,5-dimethyl-2-pyrrol-1-yl-thiophene-3-carboxylate

Systemtic Name: [2-[2-(2-fluorophenyl)ethylamino]-2-oxidanylidene-ethyl] 4,5-dimethyl-2-pyrrol-1-yl-thiophene-3-carboxylate Openeye Name: [2-[2-(2-fluorophenyl)ethylamino]-2-oxo-ethyl] 4,5-dimethyl-2-pyrrol-1-yl-thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-(1-pyrrolyl)-3-thiophenecarboxylic acid [2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 4,5-dimethyl-2-pyrrol-1-ylthiophene-3-carboxylate Traditional Name: 4,5-dimethyl-2-pyrrol-1-yl-thiophene-3-carboxylic acid [2-[2-(2-fluorophenyl)ethylamino]-2-keto-ethyl] ester Formula: C21H21FN2O3S MolecularWeight: 400.466443

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OCC(=O)NCCC2=CC=CC=C2F)N3C=CC=C3)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OCC(=O)NCCC2=CC=CC=C2F)N3C=CC=C3)C

InChI

InChI=1S/C21H21FN2O3S/c1-14-15(2)28-20(24-11-5-6-12-24)19(14)21(26)27-13-18(25)23-10-9-16-7-3-4-8-17(16)22/h3-8,11-12H,9-10,13H2,1-2H3,(H,23,25)