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

Systemtic Name: 2-[2-(2-bromanyl-4-tert-butyl-phenoxy)ethanoylamino]-4-ethyl-5-methyl-thiophene-3-carboxamide Openeye Name: 2-[[2-(2-bromo-4-tert-butyl-phenoxy)acetyl]amino]-4-ethyl-5-methyl-thiophene-3-carboxamide CAS Name: 2-[[2-(2-bromo-4-tert-butylphenoxy)-1-oxoethyl]amino]-4-ethyl-5-methyl-3-thiophenecarboxamide IUPAC Name: 2-[[2-(2-bromo-4-tert-butylphenoxy)acetyl]amino]-4-ethyl-5-methylthiophene-3-carboxamide Traditional Name: 2-[[2-(2-bromo-4-tert-butyl-phenoxy)acetyl]amino]-4-ethyl-5-methyl-thiophene-3-carboxamide Formula: C20H25BrN2O3S MolecularWeight: 453.3931

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)N)NC(=O)COC2=C(C=C(C=C2)C(C)(C)C)Br)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)N)NC(=O)COC2=C(C=C(C=C2)C(C)(C)C)Br)C

InChI

InChI=1S/C20H25BrN2O3S/c1-6-13-11(2)27-19(17(13)18(22)25)23-16(24)10-26-15-8-7-12(9-14(15)21)20(3,4)5/h7-9H,6,10H2,1-5H3,(H2,22,25)(H,23,24)