ethyl 2-[2-(3-bromanylphenoxy)propanoylamino]-4-(4-methoxyphenyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(3-bromanylphenoxy)propanoylamino]-4-(4-methoxyphenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[2-(3-bromophenoxy)propanoylamino]-4-(4-methoxyphenyl)thiophene-3-carboxylate CAS Name: 2-[[2-(3-bromophenoxy)-1-oxopropyl]amino]-4-(4-methoxyphenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(3-bromophenoxy)propanoylamino]-4-(4-methoxyphenyl)thiophene-3-carboxylate Traditional Name: 2-[2-(3-bromophenoxy)propanoylamino]-4-(4-methoxyphenyl)thiophene-3-carboxylic acid ethyl ester Formula: C23H22BrNO5S MolecularWeight: 504.39348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)OC)NC(=O)C(C)OC3=CC(=CC=C3)Br

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)OC)NC(=O)C(C)OC3=CC(=CC=C3)Br

InChI

InChI=1S/C23H22BrNO5S/c1-4-29-23(27)20-19(15-8-10-17(28-3)11-9-15)13-31-22(20)25-21(26)14(2)30-18-7-5-6-16(24)12-18/h5-14H,4H2,1-3H3,(H,25,26)