ethyl 2-[2-(4-bromanyl-2-tert-butyl-phenoxy)ethanoylamino]-4,5-dimethyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(4-bromanyl-2-tert-butyl-phenoxy)ethanoylamino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(4-bromo-2-tert-butyl-phenoxy)acetyl]amino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[2-(4-bromo-2-tert-butylphenoxy)-1-oxoethyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(4-bromo-2-tert-butylphenoxy)acetyl]amino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[[2-(4-bromo-2-tert-butyl-phenoxy)acetyl]amino]-4,5-dimethyl-thiophene-3-carboxylic acid ethyl ester Formula: C21H26BrNO4S MolecularWeight: 468.40444

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)COC2=C(C=C(C=C2)Br)C(C)(C)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)COC2=C(C=C(C=C2)Br)C(C)(C)C

InChI

InChI=1S/C21H26BrNO4S/c1-7-26-20(25)18-12(2)13(3)28-19(18)23-17(24)11-27-16-9-8-14(22)10-15(16)21(4,5)6/h8-10H,7,11H2,1-6H3,(H,23,24)