ethyl 2-acetamido-6-bromanyl-7-(2-oxidanyl-3-piperidin-1-yl-propoxy)-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-acetamido-6-bromanyl-7-(2-oxidanyl-3-piperidin-1-yl-propoxy)-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-acetamido-6-bromo-7-[2-hydroxy-3-(1-piperidyl)propoxy]benzothiophene-3-carboxylate CAS Name: 2-acetamido-6-bromo-7-[2-hydroxy-3-(1-piperidinyl)propoxy]-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-acetamido-6-bromo-7-(2-hydroxy-3-piperidin-1-ylpropoxy)-1-benzothiophene-3-carboxylate Traditional Name: 2-acetamido-6-bromo-7-(2-hydroxy-3-piperidino-propoxy)benzothiophene-3-carboxylic acid ethyl ester Formula: C21H27BrN2O5S MolecularWeight: 499.41848

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1C=CC(=C2OCC(CN3CCCCC3)O)Br)NC(=O)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1C=CC(=C2OCC(CN3CCCCC3)O)Br)NC(=O)C

InChI

InChI=1S/C21H27BrN2O5S/c1-3-28-21(27)17-15-7-8-16(22)18(19(15)30-20(17)23-13(2)25)29-12-14(26)11-24-9-5-4-6-10-24/h7-8,14,26H,3-6,9-12H2,1-2H3,(H,23,25)