[1-[(2,6-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 5-(4-fluorophenyl)thiophene-2-carboxylate

Systemtic Name: [1-[(2,6-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 5-(4-fluorophenyl)thiophene-2-carboxylate Openeye Name: [2-(2,6-dimethylanilino)-1-methyl-2-oxo-ethyl] 5-(4-fluorophenyl)thiophene-2-carboxylate CAS Name: 5-(4-fluorophenyl)-2-thiophenecarboxylic acid [1-(2,6-dimethylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2,6-dimethylanilino)-1-oxopropan-2-yl] 5-(4-fluorophenyl)thiophene-2-carboxylate Traditional Name: 5-(4-fluorophenyl)thiophene-2-carboxylic acid [2-(2,6-dimethylanilino)-2-keto-1-methyl-ethyl] ester Formula: C22H20FNO3S MolecularWeight: 397.462503

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C(C)OC(=O)C2=CC=C(S2)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)C(C)OC(=O)C2=CC=C(S2)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H20FNO3S/c1-13-5-4-6-14(2)20(13)24-21(25)15(3)27-22(26)19-12-11-18(28-19)16-7-9-17(23)10-8-16/h4-12,15H,1-3H3,(H,24,25)