ethyl 2-[4-(2-bromanyl-4-ethyl-phenoxy)butanoylamino]-4-(4-bromophenyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[4-(2-bromanyl-4-ethyl-phenoxy)butanoylamino]-4-(4-bromophenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[4-(2-bromo-4-ethyl-phenoxy)butanoylamino]-4-(4-bromophenyl)thiophene-3-carboxylate CAS Name: 2-[[4-(2-bromo-4-ethylphenoxy)-1-oxobutyl]amino]-4-(4-bromophenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[4-(2-bromo-4-ethylphenoxy)butanoylamino]-4-(4-bromophenyl)thiophene-3-carboxylate Traditional Name: 2-[4-(2-bromo-4-ethyl-phenoxy)butanoylamino]-4-(4-bromophenyl)thiophene-3-carboxylic acid ethyl ester Formula: C25H25Br2NO4S MolecularWeight: 595.3433

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)OCCCC(=O)NC2=C(C(=CS2)C3=CC=C(C=C3)Br)C(=O)OCC)Br

Isomeric SMILES

CCC1=CC(=C(C=C1)OCCCC(=O)NC2=C(C(=CS2)C3=CC=C(C=C3)Br)C(=O)OCC)Br

InChI

InChI=1S/C25H25Br2NO4S/c1-3-16-7-12-21(20(27)14-16)32-13-5-6-22(29)28-24-23(25(30)31-4-2)19(15-33-24)17-8-10-18(26)11-9-17/h7-12,14-15H,3-6,13H2,1-2H3,(H,28,29)