3-[(6-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl)sulfamoyl]propanoic acid

Systemtic Name: 3-[(6-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl)sulfamoyl]propanoic acid Openeye Name: 3-[(6-fluorothiochroman-4-yl)sulfamoyl]propanoic acid CAS Name: 3-[(6-fluoro-3,4-dihydro-2H-1-benzothiopyran-4-yl)sulfamoyl]propanoic acid IUPAC Name: 3-[(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)sulfamoyl]propanoic acid Traditional Name: 3-[(6-fluorothiochroman-4-yl)sulfamoyl]propionic acid Formula: C12H14FNO4S2 MolecularWeight: 319.372263

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C1NS(=O)(=O)CCC(=O)O)C=C(C=C2)F

Isomeric SMILES

C1CSC2=C(C1NS(=O)(=O)CCC(=O)O)C=C(C=C2)F

InChI

InChI=1S/C12H14FNO4S2/c13-8-1-2-11-9(7-8)10(3-5-19-11)14-20(17,18)6-4-12(15)16/h1-2,7,10,14H,3-6H2,(H,15,16)