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

Systemtic Name: ethyl 2-[2-(2-bromanyl-4-chloranyl-phenoxy)ethanoylamino]-5-methyl-4-(4-nitrophenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(2-bromo-4-chloro-phenoxy)acetyl]amino]-5-methyl-4-(4-nitrophenyl)thiophene-3-carboxylate CAS Name: 2-[[2-(2-bromo-4-chlorophenoxy)-1-oxoethyl]amino]-5-methyl-4-(4-nitrophenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]-5-methyl-4-(4-nitrophenyl)thiophene-3-carboxylate Traditional Name: 2-[[2-(2-bromo-4-chloro-phenoxy)acetyl]amino]-5-methyl-4-(4-nitrophenyl)thiophene-3-carboxylic acid ethyl ester Formula: C22H18BrClN2O6S MolecularWeight: 553.81012

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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=C3)Cl)Br

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=C(C=C2)[N+](=O)[O-])C)NC(=O)COC3=C(C=C(C=C3)Cl)Br

InChI

InChI=1S/C22H18BrClN2O6S/c1-3-31-22(28)20-19(13-4-7-15(8-5-13)26(29)30)12(2)33-21(20)25-18(27)11-32-17-9-6-14(24)10-16(17)23/h4-10H,3,11H2,1-2H3,(H,25,27)