ethyl 2-[2-(3-bromanylphenoxy)ethanoylamino]-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(3-bromanylphenoxy)ethanoylamino]-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(3-bromophenoxy)acetyl]amino]-6-tert-butyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-(3-bromophenoxy)-1-oxoethyl]amino]-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(3-bromophenoxy)acetyl]amino]-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(3-bromophenoxy)acetyl]amino]-6-tert-butyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C23H28BrNO4S MolecularWeight: 494.44172

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC(C2)C(C)(C)C)NC(=O)COC3=CC(=CC=C3)Br

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC(C2)C(C)(C)C)NC(=O)COC3=CC(=CC=C3)Br

InChI

InChI=1S/C23H28BrNO4S/c1-5-28-22(27)20-17-10-9-14(23(2,3)4)11-18(17)30-21(20)25-19(26)13-29-16-8-6-7-15(24)12-16/h6-8,12,14H,5,9-11,13H2,1-4H3,(H,25,26)