ethyl 3-[2-(2-bromanyl-4-fluoranyl-phenoxy)ethanoylamino]-5-(4-fluorophenyl)thiophene-2-carboxylate

Systemtic Name: ethyl 3-[2-(2-bromanyl-4-fluoranyl-phenoxy)ethanoylamino]-5-(4-fluorophenyl)thiophene-2-carboxylate Openeye Name: ethyl 3-[[2-(2-bromo-4-fluoro-phenoxy)acetyl]amino]-5-(4-fluorophenyl)thiophene-2-carboxylate CAS Name: 3-[[2-(2-bromo-4-fluorophenoxy)-1-oxoethyl]amino]-5-(4-fluorophenyl)-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]-5-(4-fluorophenyl)thiophene-2-carboxylate Traditional Name: 3-[[2-(2-bromo-4-fluoro-phenoxy)acetyl]amino]-5-(4-fluorophenyl)thiophene-2-carboxylic acid ethyl ester Formula: C21H16BrF2NO4S MolecularWeight: 496.321846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)C2=CC=C(C=C2)F)NC(=O)COC3=C(C=C(C=C3)F)Br

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)C2=CC=C(C=C2)F)NC(=O)COC3=C(C=C(C=C3)F)Br

InChI

InChI=1S/C21H16BrF2NO4S/c1-2-28-21(27)20-16(10-18(30-20)12-3-5-13(23)6-4-12)25-19(26)11-29-17-8-7-14(24)9-15(17)22/h3-10H,2,11H2,1H3,(H,25,26)