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

Systemtic Name: ethyl 2-[4-(2-bromanyl-4-methyl-phenoxy)butanoylamino]-4-(3-nitrophenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[4-(2-bromo-4-methyl-phenoxy)butanoylamino]-4-(3-nitrophenyl)thiophene-3-carboxylate CAS Name: 2-[[4-(2-bromo-4-methylphenoxy)-1-oxobutyl]amino]-4-(3-nitrophenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[4-(2-bromo-4-methylphenoxy)butanoylamino]-4-(3-nitrophenyl)thiophene-3-carboxylate Traditional Name: 2-[4-(2-bromo-4-methyl-phenoxy)butanoylamino]-4-(3-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(=CC=C2)[N+](=O)[O-])NC(=O)CCCOC3=C(C=C(C=C3)C)Br

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC(=CC=C2)[N+](=O)[O-])NC(=O)CCCOC3=C(C=C(C=C3)C)Br

InChI

InChI=1S/C24H23BrN2O6S/c1-3-32-24(29)22-18(16-6-4-7-17(13-16)27(30)31)14-34-23(22)26-21(28)8-5-11-33-20-10-9-15(2)12-19(20)25/h4,6-7,9-10,12-14H,3,5,8,11H2,1-2H3,(H,26,28)