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

Systemtic Name: ethyl 2-[2-(4-bromanyl-2-ethyl-phenoxy)ethanoylamino]-4-(3-nitrophenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(4-bromo-2-ethyl-phenoxy)acetyl]amino]-4-(3-nitrophenyl)thiophene-3-carboxylate CAS Name: 2-[[2-(4-bromo-2-ethylphenoxy)-1-oxoethyl]amino]-4-(3-nitrophenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(4-bromo-2-ethylphenoxy)acetyl]amino]-4-(3-nitrophenyl)thiophene-3-carboxylate Traditional Name: 2-[[2-(4-bromo-2-ethyl-phenoxy)acetyl]amino]-4-(3-nitrophenyl)thiophene-3-carboxylic acid ethyl ester Formula: C23H21BrN2O6S MolecularWeight: 533.39164

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)Br)OCC(=O)NC2=C(C(=CS2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OCC

Isomeric SMILES

CCC1=C(C=CC(=C1)Br)OCC(=O)NC2=C(C(=CS2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OCC

InChI

InChI=1S/C23H21BrN2O6S/c1-3-14-10-16(24)8-9-19(14)32-12-20(27)25-22-21(23(28)31-4-2)18(13-33-22)15-6-5-7-17(11-15)26(29)30/h5-11,13H,3-4,12H2,1-2H3,(H,25,27)