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

Systemtic Name: ethyl 2-[4-(2-bromanyl-4-ethyl-phenoxy)butanoylamino]-5-methyl-4-(4-nitrophenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[4-(2-bromo-4-ethyl-phenoxy)butanoylamino]-5-methyl-4-(4-nitrophenyl)thiophene-3-carboxylate CAS Name: 2-[[4-(2-bromo-4-ethylphenoxy)-1-oxobutyl]amino]-5-methyl-4-(4-nitrophenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[4-(2-bromo-4-ethylphenoxy)butanoylamino]-5-methyl-4-(4-nitrophenyl)thiophene-3-carboxylate Traditional Name: 2-[4-(2-bromo-4-ethyl-phenoxy)butanoylamino]-5-methyl-4-(4-nitrophenyl)thiophene-3-carboxylic acid ethyl ester Formula: C26H27BrN2O6S MolecularWeight: 575.47138

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)OCCCC(=O)NC2=C(C(=C(S2)C)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)OCC)Br

Isomeric SMILES

CCC1=CC(=C(C=C1)OCCCC(=O)NC2=C(C(=C(S2)C)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)OCC)Br

InChI

InChI=1S/C26H27BrN2O6S/c1-4-17-8-13-21(20(27)15-17)35-14-6-7-22(30)28-25-24(26(31)34-5-2)23(16(3)36-25)18-9-11-19(12-10-18)29(32)33/h8-13,15H,4-7,14H2,1-3H3,(H,28,30)