ethyl 2-acetamido-6-bromanyl-7-[3-(cyclohexylamino)-2-oxidanyl-propoxy]-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-acetamido-6-bromanyl-7-[3-(cyclohexylamino)-2-oxidanyl-propoxy]-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-acetamido-6-bromo-7-[3-(cyclohexylamino)-2-hydroxy-propoxy]benzothiophene-3-carboxylate CAS Name: 2-acetamido-6-bromo-7-[3-(cyclohexylamino)-2-hydroxypropoxy]-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-acetamido-6-bromo-7-[3-(cyclohexylamino)-2-hydroxypropoxy]-1-benzothiophene-3-carboxylate Traditional Name: 2-acetamido-6-bromo-7-[3-(cyclohexylamino)-2-hydroxy-propoxy]benzothiophene-3-carboxylic acid ethyl ester Formula: C22H29BrN2O5S MolecularWeight: 513.44506

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1C=CC(=C2OCC(CNC3CCCCC3)O)Br)NC(=O)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1C=CC(=C2OCC(CNC3CCCCC3)O)Br)NC(=O)C

InChI

InChI=1S/C22H29BrN2O5S/c1-3-29-22(28)18-16-9-10-17(23)19(20(16)31-21(18)25-13(2)26)30-12-15(27)11-24-14-7-5-4-6-8-14/h9-10,14-15,24,27H,3-8,11-12H2,1-2H3,(H,25,26)