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

Systemtic Name: ethyl 2-[2-(4-bromanyl-5-methyl-2-propan-2-yl-phenoxy)ethanoylamino]-4-(3-nitrophenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(4-bromo-2-isopropyl-5-methyl-phenoxy)acetyl]amino]-4-(3-nitrophenyl)thiophene-3-carboxylate CAS Name: 2-[[2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)-1-oxoethyl]amino]-4-(3-nitrophenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)acetyl]amino]-4-(3-nitrophenyl)thiophene-3-carboxylate Traditional Name: 2-[[2-(4-bromo-2-isopropyl-5-methyl-phenoxy)acetyl]amino]-4-(3-nitrophenyl)thiophene-3-carboxylic acid ethyl ester Formula: C25H25BrN2O6S MolecularWeight: 561.4448

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25BrN2O6S/c1-5-33-25(30)23-19(16-7-6-8-17(10-16)28(31)32)13-35-24(23)27-22(29)12-34-21-9-15(4)20(26)11-18(21)14(2)3/h6-11,13-14H,5,12H2,1-4H3,(H,27,29)