methyl 3-[(2,5-dimethylphenyl)sulfamoyl]-4-fluoranyl-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-[(2,5-dimethylphenyl)sulfamoyl]-4-fluoranyl-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-[(2,5-dimethylphenyl)sulfamoyl]-4-fluoro-benzothiophene-2-carboxylate CAS Name: 3-[(2,5-dimethylphenyl)sulfamoyl]-4-fluoro-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[(2,5-dimethylphenyl)sulfamoyl]-4-fluoro-1-benzothiophene-2-carboxylate Traditional Name: 3-[(2,5-dimethylphenyl)sulfamoyl]-4-fluoro-benzothiophene-2-carboxylic acid methyl ester Formula: C18H16FNO4S2 MolecularWeight: 393.452343

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NS(=O)(=O)C2=C(SC3=CC=CC(=C32)F)C(=O)OC

Isomeric SMILES

CC1=CC(=C(C=C1)C)NS(=O)(=O)C2=C(SC3=CC=CC(=C32)F)C(=O)OC

InChI

InChI=1S/C18H16FNO4S2/c1-10-7-8-11(2)13(9-10)20-26(22,23)17-15-12(19)5-4-6-14(15)25-16(17)18(21)24-3/h4-9,20H,1-3H3