2-[7-(4-methylsulfonylphenyl)carbonyl-1-benzothiophen-5-yl]propanoic acid

Systemtic Name: 2-[7-(4-methylsulfonylphenyl)carbonyl-1-benzothiophen-5-yl]propanoic acid Openeye Name: 2-[7-(4-methylsulfonylbenzoyl)benzothiophen-5-yl]propanoic acid CAS Name: 2-[7-[(4-methylsulfonylphenyl)-oxomethyl]-1-benzothiophen-5-yl]propanoic acid IUPAC Name: 2-[7-(4-methylsulfonylbenzoyl)-1-benzothiophen-5-yl]propanoic acid Traditional Name: 2-[7-(4-mesylbenzoyl)benzothiophen-5-yl]propionic acid Formula: C19H16O5S2 MolecularWeight: 388.45734

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=C2C(=C1)C=CS2)C(=O)C3=CC=C(C=C3)S(=O)(=O)C)C(=O)O

Isomeric SMILES

CC(C1=CC(=C2C(=C1)C=CS2)C(=O)C3=CC=C(C=C3)S(=O)(=O)C)C(=O)O

InChI

InChI=1S/C19H16O5S2/c1-11(19(21)22)14-9-13-7-8-25-18(13)16(10-14)17(20)12-3-5-15(6-4-12)26(2,23)24/h3-11H,1-2H3,(H,21,22)