ethyl 2-[[5-bromanyl-2-(2-methylpropoxy)phenyl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[[5-bromanyl-2-(2-methylpropoxy)phenyl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[(5-bromo-2-isobutoxy-benzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[5-bromo-2-(2-methylpropoxy)phenyl]-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[5-bromo-2-(2-methylpropoxy)benzoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(5-bromo-2-isobutoxy-benzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C22H26BrNO4S MolecularWeight: 480.41514

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26BrNO4S/c1-4-27-22(26)19-15-7-5-6-8-18(15)29-21(19)24-20(25)16-11-14(23)9-10-17(16)28-12-13(2)3/h9-11,13H,4-8,12H2,1-3H3,(H,24,25)