ethyl 4-(4-bromophenyl)-2-[2-(4-nitrophenoxy)ethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-(4-bromophenyl)-2-[2-(4-nitrophenoxy)ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-(4-bromophenyl)-2-[[2-(4-nitrophenoxy)acetyl]amino]thiophene-3-carboxylate CAS Name: 4-(4-bromophenyl)-2-[[2-(4-nitrophenoxy)-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-bromophenyl)-2-[[2-(4-nitrophenoxy)acetyl]amino]thiophene-3-carboxylate Traditional Name: 4-(4-bromophenyl)-2-[[2-(4-nitrophenoxy)acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C21H17BrN2O6S MolecularWeight: 505.33848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17BrN2O6S/c1-2-29-21(26)19-17(13-3-5-14(22)6-4-13)12-31-20(19)23-18(25)11-30-16-9-7-15(8-10-16)24(27)28/h3-10,12H,2,11H2,1H3,(H,23,25)