dimethyl 5-[(8-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl)sulfamoyl]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[(8-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl)sulfamoyl]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[(8-fluorothiochroman-4-yl)sulfamoyl]benzene-1,3-dicarboxylate CAS Name: 5-[(8-fluoro-3,4-dihydro-2H-1-benzothiopyran-4-yl)sulfamoyl]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)sulfamoyl]benzene-1,3-dicarboxylate Traditional Name: 5-[(8-fluorothiochroman-4-yl)sulfamoyl]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C19H18FNO6S2 MolecularWeight: 439.477723

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)S(=O)(=O)NC2CCSC3=C2C=CC=C3F)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)S(=O)(=O)NC2CCSC3=C2C=CC=C3F)C(=O)OC

InChI

InChI=1S/C19H18FNO6S2/c1-26-18(22)11-8-12(19(23)27-2)10-13(9-11)29(24,25)21-16-6-7-28-17-14(16)4-3-5-15(17)20/h3-5,8-10,16,21H,6-7H2,1-2H3