ethyl 2-[2-(4-bromanyl-2,6-dimethyl-phenoxy)ethanoylamino]-5-methyl-4-(4-nitrophenyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(4-bromanyl-2,6-dimethyl-phenoxy)ethanoylamino]-5-methyl-4-(4-nitrophenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(4-bromo-2,6-dimethyl-phenoxy)acetyl]amino]-5-methyl-4-(4-nitrophenyl)thiophene-3-carboxylate CAS Name: 2-[[2-(4-bromo-2,6-dimethylphenoxy)-1-oxoethyl]amino]-5-methyl-4-(4-nitrophenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(4-bromo-2,6-dimethylphenoxy)acetyl]amino]-5-methyl-4-(4-nitrophenyl)thiophene-3-carboxylate Traditional Name: 2-[[2-(4-bromo-2,6-dimethyl-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:

CCOC(=O)C1=C(SC(=C1C2=CC=C(C=C2)[N+](=O)[O-])C)NC(=O)COC3=C(C=C(C=C3C)Br)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=C(C=C2)[N+](=O)[O-])C)NC(=O)COC3=C(C=C(C=C3C)Br)C

InChI

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