methyl 5-[3-[4-(phenethylsulfamoyl)phenyl]propanoylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 5-[3-[4-(phenethylsulfamoyl)phenyl]propanoylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 5-[3-[4-(phenethylsulfamoyl)phenyl]propanoylamino]benzothiophene-2-carboxylate CAS Name: 5-[[1-oxo-3-[4-(phenethylsulfamoyl)phenyl]propyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 5-[3-[4-(phenethylsulfamoyl)phenyl]propanoylamino]-1-benzothiophene-2-carboxylate Traditional Name: 5-[3-[4-(phenethylsulfamoyl)phenyl]propanoylamino]benzothiophene-2-carboxylic acid methyl ester Formula: C27H26N2O5S2 MolecularWeight: 522.63574

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(S1)C=CC(=C2)NC(=O)CCC3=CC=C(C=C3)S(=O)(=O)NCCC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC2=C(S1)C=CC(=C2)NC(=O)CCC3=CC=C(C=C3)S(=O)(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C27H26N2O5S2/c1-34-27(31)25-18-21-17-22(10-13-24(21)35-25)29-26(30)14-9-20-7-11-23(12-8-20)36(32,33)28-16-15-19-5-3-2-4-6-19/h2-8,10-13,17-18,28H,9,14-16H2,1H3,(H,29,30)