[1-oxidanylidene-1-[(2,4,6-trimethylphenyl)amino]propan-2-yl] 5-fluoranyl-1-benzothiophene-2-carboxylate

Systemtic Name: [1-oxidanylidene-1-[(2,4,6-trimethylphenyl)amino]propan-2-yl] 5-fluoranyl-1-benzothiophene-2-carboxylate Openeye Name: [1-methyl-2-oxo-2-(2,4,6-trimethylanilino)ethyl] 5-fluorobenzothiophene-2-carboxylate CAS Name: 5-fluoro-1-benzothiophene-2-carboxylic acid [1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] 5-fluoro-1-benzothiophene-2-carboxylate Traditional Name: 5-fluorobenzothiophene-2-carboxylic acid (2-keto-2-mesidino-1-methyl-ethyl) ester Formula: C21H20FNO3S MolecularWeight: 385.451803

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)C(C)OC(=O)C2=CC3=C(S2)C=CC(=C3)F)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)C(C)OC(=O)C2=CC3=C(S2)C=CC(=C3)F)C

InChI

InChI=1S/C21H20FNO3S/c1-11-7-12(2)19(13(3)8-11)23-20(24)14(4)26-21(25)18-10-15-9-16(22)5-6-17(15)27-18/h5-10,14H,1-4H3,(H,23,24)