2-[4-[(5-fluoranyl-3-methyl-1-benzothiophen-2-yl)sulfonylamino]-3-methylsulfonyl-phenyl]-1,3-thiazole-4-carboxylic acid

Systemtic Name: 2-[4-[(5-fluoranyl-3-methyl-1-benzothiophen-2-yl)sulfonylamino]-3-methylsulfonyl-phenyl]-1,3-thiazole-4-carboxylic acid Openeye Name: 2-[4-[(5-fluoro-3-methyl-benzothiophen-2-yl)sulfonylamino]-3-methylsulfonyl-phenyl]thiazole-4-carboxylic acid CAS Name: 2-[4-[(5-fluoro-3-methyl-1-benzothiophen-2-yl)sulfonylamino]-3-methylsulfonylphenyl]-4-thiazolecarboxylic acid IUPAC Name: 2-[4-[(5-fluoro-3-methyl-1-benzothiophen-2-yl)sulfonylamino]-3-methylsulfonylphenyl]-1,3-thiazole-4-carboxylic acid Traditional Name: 2-[4-[(5-fluoro-3-methyl-benzothiophen-2-yl)sulfonylamino]-3-mesyl-phenyl]thiazole-4-carboxylic acid Formula: C20H15FN2O6S4 MolecularWeight: 526.601303

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C=C(C=C2)F)S(=O)(=O)NC3=C(C=C(C=C3)C4=NC(=CS4)C(=O)O)S(=O)(=O)C

Isomeric SMILES

CC1=C(SC2=C1C=C(C=C2)F)S(=O)(=O)NC3=C(C=C(C=C3)C4=NC(=CS4)C(=O)O)S(=O)(=O)C

InChI

InChI=1S/C20H15FN2O6S4/c1-10-13-8-12(21)4-6-16(13)31-20(10)33(28,29)23-14-5-3-11(7-17(14)32(2,26)27)18-22-15(9-30-18)19(24)25/h3-9,23H,1-2H3,(H,24,25)