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

Systemtic Name: ethyl 2-[2-(2-bromanyl-4-chloranyl-phenoxy)ethanoylamino]-5-ethyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(2-bromo-4-chloro-phenoxy)acetyl]amino]-5-ethyl-thiophene-3-carboxylate CAS Name: 2-[[2-(2-bromo-4-chlorophenoxy)-1-oxoethyl]amino]-5-ethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]-5-ethylthiophene-3-carboxylate Traditional Name: 2-[[2-(2-bromo-4-chloro-phenoxy)acetyl]amino]-5-ethyl-thiophene-3-carboxylic acid ethyl ester Formula: C17H17BrClNO4S MolecularWeight: 446.74318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)COC2=C(C=C(C=C2)Cl)Br)C(=O)OCC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)COC2=C(C=C(C=C2)Cl)Br)C(=O)OCC

InChI

InChI=1S/C17H17BrClNO4S/c1-3-11-8-12(17(22)23-4-2)16(25-11)20-15(21)9-24-14-6-5-10(19)7-13(14)18/h5-8H,3-4,9H2,1-2H3,(H,20,21)