(3-morpholin-4-ylsulfonylphenyl)methyl 4-fluoranyl-3-methyl-1-benzothiophene-2-carboxylate

Systemtic Name: (3-morpholin-4-ylsulfonylphenyl)methyl 4-fluoranyl-3-methyl-1-benzothiophene-2-carboxylate Openeye Name: (3-morpholinosulfonylphenyl)methyl 4-fluoro-3-methyl-benzothiophene-2-carboxylate CAS Name: 4-fluoro-3-methyl-1-benzothiophene-2-carboxylic acid [3-(4-morpholinylsulfonyl)phenyl]methyl ester IUPAC Name: (3-morpholin-4-ylsulfonylphenyl)methyl 4-fluoro-3-methyl-1-benzothiophene-2-carboxylate Traditional Name: 4-fluoro-3-methyl-benzothiophene-2-carboxylic acid (3-morpholinosulfonylbenzyl) ester Formula: C21H20FNO5S2 MolecularWeight: 449.515603

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=CC=CC(=C12)F)C(=O)OCC3=CC(=CC=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CC1=C(SC2=CC=CC(=C12)F)C(=O)OCC3=CC(=CC=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C21H20FNO5S2/c1-14-19-17(22)6-3-7-18(19)29-20(14)21(24)28-13-15-4-2-5-16(12-15)30(25,26)23-8-10-27-11-9-23/h2-7,12H,8-11,13H2,1H3