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

Systemtic Name: ethyl 2-[2-(4-bromanyl-2-ethyl-phenoxy)ethanoylamino]-5-methyl-4-(4-nitrophenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(4-bromo-2-ethyl-phenoxy)acetyl]amino]-5-methyl-4-(4-nitrophenyl)thiophene-3-carboxylate CAS Name: 2-[[2-(4-bromo-2-ethylphenoxy)-1-oxoethyl]amino]-5-methyl-4-(4-nitrophenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(4-bromo-2-ethylphenoxy)acetyl]amino]-5-methyl-4-(4-nitrophenyl)thiophene-3-carboxylate Traditional Name: 2-[[2-(4-bromo-2-ethyl-phenoxy)acetyl]amino]-5-methyl-4-(4-nitrophenyl)thiophene-3-carboxylic acid ethyl ester Formula: C24H23BrN2O6S MolecularWeight: 547.41822

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)Br)OCC(=O)NC2=C(C(=C(S2)C)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)OCC

Isomeric SMILES

CCC1=C(C=CC(=C1)Br)OCC(=O)NC2=C(C(=C(S2)C)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)OCC

InChI

InChI=1S/C24H23BrN2O6S/c1-4-15-12-17(25)8-11-19(15)33-13-20(28)26-23-22(24(29)32-5-2)21(14(3)34-23)16-6-9-18(10-7-16)27(30)31/h6-12H,4-5,13H2,1-3H3,(H,26,28)