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

Systemtic Name: ethyl 2-[2-(4-bromanyl-3-methyl-phenoxy)ethanoylamino]-5-methyl-4-(4-nitrophenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(4-bromo-3-methyl-phenoxy)acetyl]amino]-5-methyl-4-(4-nitrophenyl)thiophene-3-carboxylate CAS Name: 2-[[2-(4-bromo-3-methylphenoxy)-1-oxoethyl]amino]-5-methyl-4-(4-nitrophenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(4-bromo-3-methylphenoxy)acetyl]amino]-5-methyl-4-(4-nitrophenyl)thiophene-3-carboxylate Traditional Name: 2-[[2-(4-bromo-3-methyl-phenoxy)acetyl]amino]-5-methyl-4-(4-nitrophenyl)thiophene-3-carboxylic acid ethyl ester Formula: C23H21BrN2O6S MolecularWeight: 533.39164

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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=CC(=C(C=C3)Br)C

Isomeric SMILES

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

InChI

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