ethyl 2-[2-(4-bromanyl-3-methyl-phenoxy)ethanoylamino]-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(4-bromanyl-3-methyl-phenoxy)ethanoylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(4-bromo-3-methyl-phenoxy)acetyl]amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2-(4-bromo-3-methylphenoxy)-1-oxoethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(4-bromo-3-methylphenoxy)acetyl]amino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[2-(4-bromo-3-methyl-phenoxy)acetyl]amino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C22H20BrNO4S MolecularWeight: 474.3675

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)COC3=CC(=C(C=C3)Br)C

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)COC3=CC(=C(C=C3)Br)C

InChI

InChI=1S/C22H20BrNO4S/c1-3-27-22(26)20-17(15-7-5-4-6-8-15)13-29-21(20)24-19(25)12-28-16-9-10-18(23)14(2)11-16/h4-11,13H,3,12H2,1-2H3,(H,24,25)