ethyl 2-[2-(4-bromanyl-2-propan-2-yl-phenoxy)ethanoylamino]-5-ethyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(4-bromanyl-2-propan-2-yl-phenoxy)ethanoylamino]-5-ethyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(4-bromo-2-isopropyl-phenoxy)acetyl]amino]-5-ethyl-thiophene-3-carboxylate CAS Name: 2-[[2-(4-bromo-2-propan-2-ylphenoxy)-1-oxoethyl]amino]-5-ethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(4-bromo-2-propan-2-ylphenoxy)acetyl]amino]-5-ethylthiophene-3-carboxylate Traditional Name: 2-[[2-(4-bromo-2-isopropyl-phenoxy)acetyl]amino]-5-ethyl-thiophene-3-carboxylic acid ethyl ester Formula: C20H24BrNO4S MolecularWeight: 454.37786

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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(=O)OCC

Isomeric SMILES

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

InChI

InChI=1S/C20H24BrNO4S/c1-5-14-10-16(20(24)25-6-2)19(27-14)22-18(23)11-26-17-8-7-13(21)9-15(17)12(3)4/h7-10,12H,5-6,11H2,1-4H3,(H,22,23)