ethyl 2-[[2-(4-bromanylphenoxy)-2-methyl-propanoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[[2-(4-bromanylphenoxy)-2-methyl-propanoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(4-bromophenoxy)-2-methyl-propanoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-(4-bromophenoxy)-2-methyl-1-oxopropyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(4-bromophenoxy)-2-methylpropanoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(4-bromophenoxy)-2-methyl-propanoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C21H24BrNO4S MolecularWeight: 466.38856

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C(C)(C)OC3=CC=C(C=C3)Br

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C(C)(C)OC3=CC=C(C=C3)Br

InChI

InChI=1S/C21H24BrNO4S/c1-4-26-19(24)17-15-7-5-6-8-16(15)28-18(17)23-20(25)21(2,3)27-14-11-9-13(22)10-12-14/h9-12H,4-8H2,1-3H3,(H,23,25)