ethyl 2-[2-(2-bromanyl-4-propyl-phenoxy)ethanoylamino]-4-(3-nitrophenyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(2-bromanyl-4-propyl-phenoxy)ethanoylamino]-4-(3-nitrophenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(2-bromo-4-propyl-phenoxy)acetyl]amino]-4-(3-nitrophenyl)thiophene-3-carboxylate CAS Name: 2-[[2-(2-bromo-4-propylphenoxy)-1-oxoethyl]amino]-4-(3-nitrophenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(2-bromo-4-propylphenoxy)acetyl]amino]-4-(3-nitrophenyl)thiophene-3-carboxylate Traditional Name: 2-[[2-(2-bromo-4-propyl-phenoxy)acetyl]amino]-4-(3-nitrophenyl)thiophene-3-carboxylic acid ethyl ester Formula: C24H23BrN2O6S MolecularWeight: 547.41822

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=C(C=C1)OCC(=O)NC2=C(C(=CS2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OCC)Br

Isomeric SMILES

CCCC1=CC(=C(C=C1)OCC(=O)NC2=C(C(=CS2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OCC)Br

InChI

InChI=1S/C24H23BrN2O6S/c1-3-6-15-9-10-20(19(25)11-15)33-13-21(28)26-23-22(24(29)32-4-2)18(14-34-23)16-7-5-8-17(12-16)27(30)31/h5,7-12,14H,3-4,6,13H2,1-2H3,(H,26,28)