ethyl 4-fluoranyl-3-[[(4-fluoranyl-3-nitro-phenyl)amino]methyl]-1-benzothiophene-2-carboxylate

Systemtic Name: ethyl 4-fluoranyl-3-[[(4-fluoranyl-3-nitro-phenyl)amino]methyl]-1-benzothiophene-2-carboxylate Openeye Name: ethyl 4-fluoro-3-[(4-fluoro-3-nitro-anilino)methyl]benzothiophene-2-carboxylate CAS Name: 4-fluoro-3-[(4-fluoro-3-nitroanilino)methyl]-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-fluoro-3-[(4-fluoro-3-nitroanilino)methyl]-1-benzothiophene-2-carboxylate Traditional Name: 4-fluoro-3-[(4-fluoro-3-nitro-anilino)methyl]benzothiophene-2-carboxylic acid ethyl ester Formula: C18H14F2N2O4S MolecularWeight: 392.376566

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)CNC3=CC(=C(C=C3)F)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)CNC3=CC(=C(C=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C18H14F2N2O4S/c1-2-26-18(23)17-11(16-13(20)4-3-5-15(16)27-17)9-21-10-6-7-12(19)14(8-10)22(24)25/h3-8,21H,2,9H2,1H3