[2-[(2,6-diethylphenyl)amino]-2-oxidanylidene-ethyl] 5-(4-fluorophenyl)thiophene-2-carboxylate

Systemtic Name: [2-[(2,6-diethylphenyl)amino]-2-oxidanylidene-ethyl] 5-(4-fluorophenyl)thiophene-2-carboxylate Openeye Name: [2-(2,6-diethylanilino)-2-oxo-ethyl] 5-(4-fluorophenyl)thiophene-2-carboxylate CAS Name: 5-(4-fluorophenyl)-2-thiophenecarboxylic acid [2-(2,6-diethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,6-diethylanilino)-2-oxoethyl] 5-(4-fluorophenyl)thiophene-2-carboxylate Traditional Name: 5-(4-fluorophenyl)thiophene-2-carboxylic acid [2-(2,6-diethylanilino)-2-keto-ethyl] ester Formula: C23H22FNO3S MolecularWeight: 411.489083

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)COC(=O)C2=CC=C(S2)C3=CC=C(C=C3)F

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)COC(=O)C2=CC=C(S2)C3=CC=C(C=C3)F

InChI

InChI=1S/C23H22FNO3S/c1-3-15-6-5-7-16(4-2)22(15)25-21(26)14-28-23(27)20-13-12-19(29-20)17-8-10-18(24)11-9-17/h5-13H,3-4,14H2,1-2H3,(H,25,26)