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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)COC2=C(C=C(C=C2)Br)C(C)(C)C)C(=O)OCC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)COC2=C(C=C(C=C2)Br)C(C)(C)C)C(=O)OCC

InChI

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