methyl 3-[[2-[(3-fluoranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-sulfamoyl]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-[[2-[(3-fluoranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-sulfamoyl]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-[[2-(3-fluoro-4-methyl-anilino)-2-oxo-ethyl]-methyl-sulfamoyl]benzothiophene-2-carboxylate CAS Name: 3-[[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-methylsulfamoyl]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-methylsulfamoyl]-1-benzothiophene-2-carboxylate Traditional Name: 3-[[2-(3-fluoro-4-methyl-anilino)-2-keto-ethyl]-methyl-sulfamoyl]benzothiophene-2-carboxylic acid methyl ester Formula: C20H19FN2O5S2 MolecularWeight: 450.503663

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CN(C)S(=O)(=O)C2=C(SC3=CC=CC=C32)C(=O)OC)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CN(C)S(=O)(=O)C2=C(SC3=CC=CC=C32)C(=O)OC)F

InChI

InChI=1S/C20H19FN2O5S2/c1-12-8-9-13(10-15(12)21)22-17(24)11-23(2)30(26,27)19-14-6-4-5-7-16(14)29-18(19)20(25)28-3/h4-10H,11H2,1-3H3,(H,22,24)