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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)C(=C(C=C2)Br)OCC(CNC3CCCCC3)O)NC(=O)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)C(=C(C=C2)Br)OCC(CNC3CCCCC3)O)NC(=O)C

InChI

InChI=1S/C22H29BrN2O5S/c1-3-29-22(28)21-18(25-13(2)26)16-9-10-17(23)19(20(16)31-21)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)