methyl 3-(1,3-benzodioxol-5-ylsulfamoyl)-4-fluoranyl-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-(1,3-benzodioxol-5-ylsulfamoyl)-4-fluoranyl-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-(1,3-benzodioxol-5-ylsulfamoyl)-4-fluoro-benzothiophene-2-carboxylate CAS Name: 3-(1,3-benzodioxol-5-ylsulfamoyl)-4-fluoro-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-(1,3-benzodioxol-5-ylsulfamoyl)-4-fluoro-1-benzothiophene-2-carboxylate Traditional Name: 3-(1,3-benzodioxol-5-ylsulfamoyl)-4-fluoro-benzothiophene-2-carboxylic acid methyl ester Formula: C17H12FNO6S2 MolecularWeight: 409.408683

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(C=CC=C2S1)F)S(=O)(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC(=O)C1=C(C2=C(C=CC=C2S1)F)S(=O)(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C17H12FNO6S2/c1-23-17(20)15-16(14-10(18)3-2-4-13(14)26-15)27(21,22)19-9-5-6-11-12(7-9)25-8-24-11/h2-7,19H,8H2,1H3