ethyl 3-[[3-(dimethylamino)phenyl]carbonyloxymethyl]-4-fluoranyl-1-benzothiophene-2-carboxylate

Systemtic Name: ethyl 3-[[3-(dimethylamino)phenyl]carbonyloxymethyl]-4-fluoranyl-1-benzothiophene-2-carboxylate Openeye Name: ethyl 3-[[3-(dimethylamino)benzoyl]oxymethyl]-4-fluoro-benzothiophene-2-carboxylate CAS Name: 3-[[[3-(dimethylamino)phenyl]-oxomethoxy]methyl]-4-fluoro-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[[3-(dimethylamino)benzoyl]oxymethyl]-4-fluoro-1-benzothiophene-2-carboxylate Traditional Name: 3-[[3-(dimethylamino)benzoyl]oxymethyl]-4-fluoro-benzothiophene-2-carboxylic acid ethyl ester Formula: C21H20FNO4S MolecularWeight: 401.451203

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)COC(=O)C3=CC(=CC=C3)N(C)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)COC(=O)C3=CC(=CC=C3)N(C)C

InChI

InChI=1S/C21H20FNO4S/c1-4-26-21(25)19-15(18-16(22)9-6-10-17(18)28-19)12-27-20(24)13-7-5-8-14(11-13)23(2)3/h5-11H,4,12H2,1-3H3